SCHEMBL10952974

SCHEMBL10952974

Cc1c(C(=O)O)sc2cc(CO)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.60
GPR35 Q9HC97 2/20 0.55
MCL1 Q07820 4/20 0.51
BCL2L1 Q07817 2/20 0.51
RXFP1 Q9HBX9 3/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
BCKDK O14874 2/20 0.43
HSD17B10 Q99714 1/20 0.43
PRNP P04156 1/20 0.42
CES2 O00748 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD11B1 P28845 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
BCL2 P10415 1/20 0.38
BAD Q92934 1/20 0.38

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
SCHEMBL10948748 0.88 TBXAS1 (0.60) TBXAS1GPR35MCL1BCL2L1RXFP1
SCHEMBL31207832 0.86 TBXAS1 (0.58) TBXAS1GPR35MCL1BCL2L1RXFP1
SCHEMBL10956255 0.84 TBXAS1 (0.44) TBXAS1GPR35MCL1BCL2L1NPSR1
SCHEMBL15619574 0.83 MCL1 (0.71) TBXAS1GPR35MCL1BCL2L1RXFP1
SCHEMBL10951715 0.78 POLB (0.43) TBXAS1GPR35MCL1BCL2L1RXFP1
SCHEMBL2895958 0.78 GPR35 (0.58) TBXAS1GPR35MCL1BCL2L1RXFP1
SCHEMBL2895162 0.78 BCKDK (0.67) TBXAS1GPR35MCL1BCL2L1RXFP1
SCHEMBL12153769 0.78 MCL1 (0.71) TBXAS1GPR35MCL1BCL2L1RXFP1
SCHEMBL10953675 0.76 TBXAS1 (0.57) TBXAS1GPR35PKMNPSR1NPC1
SCHEMBL10955250 0.76 TBXAS1 (0.55) TBXAS1GPR35MCL1BCL2L1RXFP1

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
US-4551468-A INDOLE, BENZOFURANS, BENZOTHIOPHENES PFIZER INC. (US) 1985-11-05 US disclosed
EP-0050957-B1 HETEROCYCLIC THROMBOXANE SYNTHETASE INHIBITORS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pfizer Limited (GB) 1984-08-22 EP disclosed
US-4410539-A Heterocyclic thromboxane synthetase inhibitors and pharmaceutical compositions containing them PFIZER INC. (US) 1983-10-18 US disclosed
EP-0050957-A1 Heterocyclic thromboxane synthetase inhibitors, processes for their preparation, and pharmaceutical compositions containing them Pfizer Limited (GB) 1982-05-05 EP disclosed