SCHEMBL9567941

SCHEMBL9567941

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.46
MAPK1 P28482 2/20 0.46
RXFP1 Q9HBX9 2/20 0.42
GPR35 Q9HC97 2/20 0.42
PRNP P04156 1/20 0.42
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE10A Q9Y233 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
HSD11B1 P28845 1/20 0.39
BCL2 P10415 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
SCHEMBL9568064 0.81 PTGER4 (0.45) MCL1MAPK1RXFP1GPR35PRNP
SCHEMBL9568067 0.81 PTGER4 (0.45) MCL1MAPK1RXFP1GPR35PRNP
SCHEMBL4272799 0.80 MCL1 (0.51) MCL1MAPK1RXFP1GPR35PRNP
SCHEMBL2910452 0.78 ALDH1A1 (0.52) MCL1MAPK1RXFP1GPR35PRNP
SCHEMBL15619314 0.78 MCL1 (0.71) MCL1MAPK1RXFP1GPR35PRNP
SCHEMBL9567940 0.78 MCL1 (0.49) MCL1MAPK1RXFP1GPR35PRNP
SCHEMBL26049804 0.75 EDNRA (0.50) MCL1MAPK1RXFP1GPR35PKM
SCHEMBL9025199 0.75 STING1 (0.54) MCL1MAPK1ALDH1A1KDM4EGLA
SCHEMBL29939764 0.73 RXFP1 (0.71) MCL1MAPK1RXFP1GPR35PRNP
SCHEMBL584871 0.73 RXFP1 (0.71) MCL1MAPK1RXFP1GPR35PRNP

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