SCHEMBL7074698

SCHEMBL7074698

CC(=O)CC(=O)Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]

nearest known ligand 0.71

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 19)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 6/20 0.71
CA2 known ✓ P00918 6/20 0.71
CA4 known ✓ P22748 1/20 0.71
CA12 known ✓ O43570 2/20 0.50
CA7 P43166 2/20 0.71
MAPT P10636 3/20 0.56
ATM Q13315 1/20 0.53
POLB P06746 4/20 0.51
TSHR P16473 1/20 0.51
CA9 Q16790 2/20 0.50
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
HIF1A Q16665 1/20 0.49
PRMT1 Q99873 1/20 0.49
CA14 Q9ULX7 1/20 0.46

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
Potassium Ion SCHEMBL6555671 0.97 CA1 (0.71) CA1CA2CA7CA4MAPT
SCHEMBL13306091 0.86 CA1 (0.75) CA1CA2CA7CA4MAPT
SCHEMBL3906878 0.84 ATM (0.74) CA1CA2CA7CA4MAPT
SCHEMBL2220428 0.84 CA1 (0.73) CA1CA2CA7CA4MAPT
SCHEMBL593172 0.83 MAPT (0.74) CA1CA2CA7CA4MAPT
Potassium SCHEMBL29819348 0.83 CA1 (0.71) CA1CA2CA7CA4MAPT
SCHEMBL7130773 0.83 CA1 (1.00) CA1CA2CA7CA4MAPT
SCHEMBL7074703 0.83 CA1 (0.71) CA1CA2CA7CA4MAPT
SCHEMBL6555677 0.83 CA1 (0.71) CA1CA2CA7CA4MAPT
SCHEMBL8389551 0.82 CA1 (0.67) CA1CA2CA7CA4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108997774-B Method for producing organic cobalt complex 金华双宏化工有限公司 2020-06-26 CN disclosed
EP-1146088-B1 Method of producing disazo pigment TOYO INK MFG CO (JP) 2003-07-02 EP disclosed
US-20010041793-A1 Method of producing disazo pigment TOYO INK MFG. CO., LTD. (JP) 2001-11-15 US disclosed
EP-1146088-A1 Method of producing disazo pigment Toyo Ink Manufacturing Co. Ltd. (JP) 2001-10-17 EP disclosed
US-6303762-B1 COUPLING A TETRAZO BENZIDINES AND A MIXTURE OF N-PHENYLACETOACETAMIDES TOYO INK MFG. CO., LTD. (JP) 2001-10-16 US disclosed