SCHEMBL6435201

SCHEMBL6435201

COC(=O)c1c(C(=O)OC)n(Cc2cccc(C(N)=S)c2)c2ccccc12

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.81
F2 P00734 3/20 0.48
FOLH1 Q04609 4/20 0.47
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
MAPK8 P45983 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
SCHEMBL6435208 0.94 F10 (0.71) F10F2FOLH1ALDH1A1GAA
SCHEMBL6433741 0.86 F10 (0.61) F10F2
Trifluoroacetic Acid SCHEMBL6434438 0.83 F10 (0.87) F10F2
SCHEMBL6432965 0.80 F10 (0.66) F10ALDH1A1GAAMAPTPKM
SCHEMBL14809872 0.76 F10 (0.61) F10ALDH1A1GAAMAPTPKM
SCHEMBL6432971 0.74 F10 (0.58) F10FOLH1ALDH1A1GAAMAPT
SCHEMBL6432583 0.74 F10 (0.58) F10FOLH1ALDH1A1GAAMAPT
SCHEMBL27560061 0.73 F10 (0.55) F10F2FOLH1
SCHEMBL28742466 0.73 F10 (0.47) F10F2
SCHEMBL5955785 0.71 FOLH1 (0.59) F10F2FOLH1MAPK8

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