SCHEMBL6433289

SCHEMBL6433289

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 2/20 0.67
NOD1 Q9Y239 2/20 0.67
F10 P00742 5/20 0.66
CCR2 P41597 3/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
POLB P06746 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 2/20 0.53
LMNA P02545 1/20 0.53
F2 P00734 1/20 0.53
KDM4E B2RXH2 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
ALDH1A1 P00352 1/20 0.50
ATM Q13315 1/20 0.50
SRC P12931 1/20 0.49
PLA2G10 O15496 1/20 0.47

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
SCHEMBL6432567 0.90 F10 (0.66) NOD2NOD1F10CCR2KMT2A
SCHEMBL6436885 0.89 NOD2 (0.77) NOD2NOD1F10CCR2KMT2A
SCHEMBL6432920 0.88 F10 (0.67) NOD2NOD1F10CCR2MAPT
SCHEMBL6433615 0.88 CCR2 (0.58) NOD2NOD1F10CCR2MAPT
SCHEMBL6432762 0.88 CCR2 (0.58) NOD2NOD1F10CCR2MAPT
SCHEMBL6439399 0.85 F10 (0.60) NOD2NOD1F10CCR2KMT2A
SCHEMBL6436710 0.85 F10 (0.55) NOD2NOD1F10CCR2MAPT
SCHEMBL21822247 0.85 NOD2 (0.61) NOD2NOD1F10CCR2KMT2A
SCHEMBL4798323 0.85 NOD2 (0.85) NOD2NOD1F10CCR2KMT2A
SCHEMBL6432566 0.84 F10 (0.54) NOD2NOD1F10CCR2MAPT

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