SCHEMBL6435208

SCHEMBL6435208

COC(=O)c1c(C(=O)O)c2ccccc2n1Cc1cccc(C(N)=S)c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.71
FOLH1 Q04609 4/20 0.50
CCR2 P41597 2/20 0.49
F2 P00734 2/20 0.47
MAPK8 P45983 1/20 0.44
PLA2G10 O15496 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
EDNRB P24530 1/20 0.43
EDNRA P25101 1/20 0.43

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
SCHEMBL6435201 0.94 F10 (0.81) F10FOLH1F2MAPK8ALDH1A1
SCHEMBL6433741 0.81 F10 (0.61) F10F2
SCHEMBL6432971 0.80 F10 (0.58) F10FOLH1CCR2MAPK8ALDH1A1
Trifluoroacetic Acid SCHEMBL6434438 0.80 F10 (0.87) F10F2
SCHEMBL6432965 0.74 F10 (0.66) F10CCR2MAPK8ALDH1A1GAA
SCHEMBL6856138 0.73 MAPT (0.51) F10CCR2GAAMAPTPKM
SCHEMBL6432583 0.72 F10 (0.58) F10FOLH1CCR2ALDH1A1GAA
SCHEMBL27560061 0.72 F10 (0.55) F10FOLH1F2
SCHEMBL6433920 0.72 F10 (0.67) F10F2
SCHEMBL23760001 0.71 MAPK8 (0.56) F10FOLH1CCR2MAPK8ALDH1A1

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-1042287-B1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA AVENTIS PHARMA GMBH (DE) 2005-04-20 EP disclosed
US-6337344-B1 ANTICOAGULANTS AND ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-08 US disclosed
EP-1042287-A1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA Aventis Pharma Deutschland GmbH (DE) 2000-10-11 EP disclosed
WO-1999033800-A1 INDOLE DERIVATIVES AS INHIBITORS OR FACTOR XA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-08 WO disclosed