SCHEMBL1698307

SCHEMBL1698307

Cc1ccc2nc(-c3ccc(/N=N\Nc4ccc(-c5nc6ccc(C)c(S(=O)(=O)[O-])c6s5)cc4)cc3)sc2c1S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.49

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
ALDH1A1 P00352 7/20 0.49
HPGD P15428 7/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
GAA P10253 5/20 0.49
GLA P06280 4/20 0.49
TP53 P04637 2/20 0.49
CYP3A4 P08684 1/20 0.49
NT5E P21589 1/20 0.49
CASP1 P29466 1/20 0.49
RECQL P46063 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 7/20 0.48
APP P05067 3/20 0.48
SNCA P37840 2/20 0.48
KDM4E B2RXH2 3/20 0.38
RORC P51449 3/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36

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
SCHEMBL128891 1.00 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2GAAGLA
SCHEMBL1502362 1.00 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2GAAGLA
SCHEMBL263332 0.92 MAPT (0.47) ALDH1A1HPGDSMN1; SMN2GAAGLA
SCHEMBL10231941 0.88 ALDH1A1 (0.65) ALDH1A1HPGDSMN1; SMN2GAAGLA
SCHEMBL29711744 0.88 ALDH1A1 (0.65) ALDH1A1HPGDSMN1; SMN2GAAGLA
SCHEMBL10383547 0.87 ALDH1A1 (0.64) ALDH1A1HPGDSMN1; SMN2GAAGLA
SCHEMBL30205808 0.83 APP (0.55) ALDH1A1HPGDSMN1; SMN2GAAGLA
SCHEMBL2865897 0.80 MAPT (0.51) ALDH1A1HPGDSMN1; SMN2GAAGLA
SCHEMBL29385056 0.77 CA2 (0.47) ALDH1A1HPGDSMN1; SMN2GAAGLA
SCHEMBL19234851 0.77 GAA (0.75) ALDH1A1HPGDSMN1; SMN2GAAGLA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250160275-A1 COMPOUNDS FOR MODIFYING MEIOTIC RECOMBINATION AND METHODS RELATING THERETO THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2025-05-22 US claimed
US-20250160275-A1 COMPOUNDS FOR MODIFYING MEIOTIC RECOMBINATION AND METHODS RELATING THERETO THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2025-05-22 US disclosed
EP-2588512-B1 COLOR INDICATING EPOXY RESINS AND METHODS THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2015-03-11 EP disclosed
US-8975312-B2 Color indicating epoxy resins and methods thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-03-10 US disclosed
EP-2588512-A1 COLOR INDICATING EPOXY RESINS AND METHODS THEREOF 3M Innovative Properties Company (US) 2013-05-08 EP disclosed
US-20130096234-A1 COLOR INDICATING EPOXY RESINS AND METHODS THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-04-18 US disclosed
WO-2012003204-A1 COLOR INDICATING EPOXY RESINS AND METHODS THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-05 WO disclosed