SCHEMBL9567940

SCHEMBL9567940

Cc1c(C(=O)O)sc2cccc(I)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.49
MAPK1 P28482 2/20 0.49
GPR35 Q9HC97 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
BCAT2 O15382 2/20 0.41
PRNP P04156 1/20 0.41
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BCL2L1 Q07817 1/20 0.36
EDNRA P25101 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4272799 0.83 MCL1 (0.51) MCL1MAPK1GPR35RXFP1PKM
SCHEMBL15619314 0.80 MCL1 (0.71) MCL1MAPK1GPR35RXFP1PKM
SCHEMBL2910452 0.80 ALDH1A1 (0.52) MCL1MAPK1GPR35RXFP1PKM
SCHEMBL4860970 0.80 MCL1 (0.45) MCL1MAPK1GPR35HPGDKDM4E
SCHEMBL26049804 0.78 EDNRA (0.50) MCL1MAPK1GPR35RXFP1PKM
SCHEMBL9567941 0.78 MCL1 (0.46) MCL1MAPK1GPR35RXFP1PKM
SCHEMBL2889156 0.75 TSHR (0.53) MCL1MAPK1GPR35RXFP1PKM
SCHEMBL9025199 0.74 STING1 (0.54) MCL1MAPK1HPGDLMNAKDM4E
SCHEMBL24857843 0.72 IDO1 (0.36) MAPK1HPGDKDM4EALDH1A1GLA
SCHEMBL584871 0.72 RXFP1 (0.71) MCL1MAPK1GPR35RXFP1PKM

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
EP-0568289-A2 Benzothiophenes and thienothiophenes and related compounds useful, for example, as urokinase inhibitors Eisai Co., Ltd. (JP) 1993-11-03 EP disclosed