SCHEMBL9490759

SCHEMBL9490759

CCS(=O)(=O)Nc1ccc(C(=O)[O-])cc1.[Na+]

nearest known ligand 0.65

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 14)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 5/20 0.44
CA2 known ✓ P00918 5/20 0.44
HPGD P15428 9/20 0.65
LMNA P02545 2/20 0.63
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PANK3 Q9H999 1/20 0.51
NR3C2 P08235 1/20 0.46
KIF11 P52732 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RECQL P46063 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL9514803 0.81 HPGD (0.69) HPGDLMNAHTTSMN1; SMN2PANK3
SCHEMBL1017480 0.81 HPGD (0.72) HPGDLMNAHTTSMN1; SMN2PANK3
SCHEMBL10646370 0.81 HPGD (0.56) HPGDLMNAHTTSMN1; SMN2NR3C2
SCHEMBL7861945 0.80 HPGD (0.67) HPGDLMNAHTTSMN1; SMN2PANK3
SCHEMBL457811 0.80 HPGD (0.67) HPGDLMNAHTTSMN1; SMN2PANK3
SCHEMBL9490752 0.80 HPGD (0.70) HPGDLMNAHTTSMN1; SMN2PANK3
SCHEMBL27183022 0.79 CA2 (0.48) HPGDMAPTCA1CA2
SCHEMBL1020558 0.79 HPGD (1.00) HPGDLMNAHTTSMN1; SMN2MAPT
SCHEMBL9136792 0.77 HPGD (0.63) HPGDLMNAHTTSMN1; SMN2PANK3
SCHEMBL9661880 0.77 HPGD (0.63) HPGDLMNAHTTSMN1; SMN2PANK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0324791-B1 ARYL-N-AMINOALKYL-4-(SULFONAMIDO)BENZAMIDES, ANTIARRHYTMIC AGENTS AND COMPOSITIONS THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 1993-03-24 EP disclosed
US-4920116-A ANTIARRHYTHMIA AGENTS SCHERING A.G. (DE) 1990-04-24 US disclosed
EP-0324791-A1 ARYL-N-AMINOALKYL-4-(SULFONAMIDO)BENZAMIDES, ANTIARRHYTMIC AGENTS AND COMPOSITIONS THEREOF. SCHERING AG (DE) 1989-07-26 EP disclosed
WO-1988002362-A1 ARYL-N-AMINOALKYL-4-(SULFONAMIDO)BENZAMIDES, ANTIARRHYTMIC AGENTS AND COMPOSITIONS THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 1988-04-07 WO disclosed