SCHEMBL1615063

SCHEMBL1615063

CC1=NN(c2cc(S(=O)(=O)[O-])ccc2Cl)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+]

nearest known ligand 0.53

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 14/20 0.53
▸ KMT2A Q03164 14/20 0.53
▸ MAPT P10636 7/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ NPC1 O15118 7/20 0.48
▸ RAB9A P51151 7/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ POLB P06746 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ATM Q13315 1/20 0.45
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29960122 1.00 MEN1 (0.53) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL2866190 0.94 MAPT (0.58) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL30544458 0.94 MAPT (0.58) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL226987 0.89 MEN1 (0.51) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL3953142 0.89 MEN1 (0.51) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL1615065 0.87 KMT2A (0.53) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL18038402 0.86 KMT2A (0.53) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL1615061 0.86 KMT2A (0.53) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL5940611 0.84 MEN1 (0.53) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL30893167 0.83 MEN1 (0.47) MEN1KMT2AMAPTCYP1A2GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009126167-A1 OPTICAL DATA RECORDING MEDIA AND METHODS FOR RECORDING AND READING DATA THEREON HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2009-10-15 — — WO claimed
WO-2006049732-A1 COLOR FORMING COMPOSITIONS AND ASSOCIATED METHODS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2006-05-11 — — WO claimed
US-20060093958-A1 Color forming compositions and associated methods HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2006-05-04 — — US claimed
US-20060078832-A1 Compositions for multi-color, light activated imaging HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2006-04-13 — — US claimed
US-8722167-B2 Image recording media, methods of making image recording media, imaging layers, and methods of making imaging layers HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2014-05-13 — — US disclosed
US-8652607-B2 Image recording media and imaging layers HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2014-02-18 — — US disclosed
EP-1940629-B1 IMAGE RECORDING MEDIA AND IMAGE LAYERS HEWLETT PACKARD DEVELOPMENT CO (US) 2013-09-25 — — EP disclosed
US-8283100-B2 Color forming compositions and associated methods HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2012-10-09 — — US disclosed
US-7968166-B2 Optical recording system HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2011-06-28 — — US disclosed
EP-1834325-B1 COLOR FORMING COMPOSITIONS WITH IMPROVED MARKING SENSITIVITY AND IMAGE CONTRAST AND ASSOCIATED METHODS HEWLETT PACKARD DEVELOPMENT CO (US) 2011-06-08 — — EP disclosed
US-20110111336-A1 Compositions and Methods for High Efficiency Absorption of Radiation, and Films Formed Thereof YewSavin, Inc. (US) 2011-05-12 — — US disclosed
US-20110108773-A1 Compositions for Depositions and Processing of Films for Electronic Applications YewSavin, Inc. (US) 2011-05-12 — — US disclosed
US-20060188828-A1 Media for laser imaging HEWLETT-PACKARD DEVELOPMENT COPMANY, L.P. 2006-08-24 — — US disclosed
WO-2006073801-A2 COLOR FORMING COMPOSITIONS WITH IMPROVED MARKING SENSITIVITY AND IMAGE CONTRAST AND ASSOCIATED METHODS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2006-07-13 — — WO disclosed
US-20060147833-A1 Color forming compositions with improved marking sensitivity and image contrast and associated methods KASPERCHIK VLADEK P 2006-07-06 — — US disclosed
WO-2006049732-A1 COLOR FORMING COMPOSITIONS AND ASSOCIATED METHODS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2006-05-11 — — WO disclosed
US-20060093958-A1 Color forming compositions and associated methods HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2006-05-04 — — US disclosed
WO-2006038996-A1 COLOR FORMING COMPOSITIONS AND ASSOCIATED METHODS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2006-04-13 — — WO disclosed
US-20060078832-A1 Compositions for multi-color, light activated imaging HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2006-04-13 — — US disclosed
US-20060068315-A1 Color forming compositions and associated methods HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2006-03-30 — — US disclosed
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