SCHEMBL6433549

SCHEMBL6433549

CCOC(=O)c1cc2ccccc2n1Cc1ccc(C(N)=S)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.80
NOD2 Q9HC29 3/20 0.75
NOD1 Q9Y239 3/20 0.75
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
F2 P00734 1/20 0.54
KDM4E B2RXH2 2/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CCR2 P41597 3/20 0.51
MAPT P10636 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
TSHR P16473 1/20 0.51
ATM Q13315 1/20 0.51
SRC P12931 1/20 0.50
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 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
SCHEMBL6433559 0.89 F10 (0.81) F10NOD2NOD1KMT2AMEN1
SCHEMBL6436953 0.89 F10 (1.00) F10NOD2NOD1KMT2AMEN1
Hydrochloric Acid SCHEMBL6436952 0.88 F10 (0.98) F10NOD2NOD1KMT2AMEN1
SCHEMBL5421098 0.86 NOD2 (0.82) F10NOD2NOD1KMT2AMEN1
SCHEMBL4798323 0.86 NOD2 (0.85) F10NOD2NOD1KMT2AMEN1
SCHEMBL6302610 0.85 NOD2 (0.84) F10NOD2NOD1KMT2AMEN1
SCHEMBL12948823 0.84 NOD2 (0.82) F10NOD2NOD1KMT2AMEN1
SCHEMBL6706704 0.84 NOD2 (0.82) F10NOD2NOD1KMT2AMEN1
SCHEMBL27513366 0.83 CCR2 (0.72) F10NOD2NOD1CCR2PLA2G10
SCHEMBL6858374 0.83 NOD2 (0.80) F10NOD2NOD1KMT2AMEN1

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