SCHEMBL11225698

SCHEMBL11225698

CCc1nc(NC(=O)C(=O)[O-])sc1CC.[Na+]

nearest known ligand 0.43

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 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RORC P51449 2/20 0.36
PTPN1 P18031 3/20 0.34
FBP1 P09467 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32

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
SCHEMBL11222481 0.87 MAPT (0.45) MAPTALDH1A1HPGDTSHRHSD17B10
SCHEMBL11224332 0.77 MAPT (0.40) MAPTALDH1A1HPGDTSHRHSD17B10
SCHEMBL11224432 0.72 ALDH1A1 (0.41) MAPTALDH1A1HPGDTSHRHSD17B10
SCHEMBL11231402 0.67 RAB9A (0.51) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL11220018 0.67 RAB9A (0.51) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7381091 0.66 HSD17B1 (0.44) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL10980536 0.64 MEN1 (0.50) MAPTALDH1A1MEN1KMT2A
SCHEMBL12827565 0.63 GRM5 (0.37) MAPTALDH1A1HPGDHSD17B10RAB9A
SCHEMBL11160903 0.62 ADORA1 (0.65) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL11225869 0.62 MAPT (0.58) MAPTALDH1A1HPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4321372-A Antiulcer thiazol-2-ylcarbamoyl-carboxylic acids, esters and amides PFIZER INC. (US) 1982-03-23 US disclosed