SCHEMBL6433559

SCHEMBL6433559

CCOC(=O)c1cc2ccccc2n1Cc1cccc(C(N)=S)c1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.81
F2 P00734 1/20 0.66
NOD2 Q9HC29 2/20 0.65
NOD1 Q9Y239 2/20 0.65
PLA2G10 O15496 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
KDM4E B2RXH2 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SRC P12931 1/20 0.48
CCR2 P41597 1/20 0.48

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
SCHEMBL6435748 0.89 F10 (1.00) F10F2NOD2NOD1PLA2G10
SCHEMBL6433549 0.89 F10 (0.80) F10F2NOD2NOD1PLA2G10
Hydrochloric Acid SCHEMBL6435742 0.88 F10 (0.98) F10F2NOD2NOD1PLA2G10
SCHEMBL27497454 0.84 PLA2G10 (0.74) F10F2PLA2G10CCR2
SCHEMBL4798323 0.84 NOD2 (0.85) F10F2NOD2NOD1MEN1
SCHEMBL6307843 0.82 NOD2 (0.74) F10F2NOD2NOD1MEN1
SCHEMBL6436953 0.81 F10 (1.00) F10F2NOD2NOD1MEN1
SCHEMBL5421098 0.80 NOD2 (0.82) F10F2NOD2NOD1MEN1
SCHEMBL3571653 0.80 NOD2 (0.67) F10F2NOD2NOD1MEN1
SCHEMBL6433289 0.80 NOD2 (0.67) F10F2NOD2NOD1PLA2G10

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