SCHEMBL6605036

SCHEMBL6605036

COc1cnc(/C=C(\C#N)c2ccncc2)cc1OC1Cc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE4B Q07343 11/20 0.40
PDE4A P27815 7/20 0.40
PDE4C Q08493 7/20 0.40
PDE4D Q08499 7/20 0.40
EGFR P00533 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RECQL P46063 1/20 0.40
HIF1A Q16665 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL6605043 1.00 MAPT (0.43) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL6609749 0.85 PDE4A (0.48) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL6609752 0.85 PDE4A (0.48) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL6608397 0.84 PDE4B (0.41) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL6608388 0.84 PDE4B (0.41) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL6611390 0.83 MAPT (0.46) MAPTKDM4ENPC1RAB9APDE4B
SCHEMBL6611396 0.83 MAPT (0.46) MAPTKDM4ENPC1RAB9APDE4B
SCHEMBL6609067 0.83 MAPT (0.44) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL6609065 0.83 MAPT (0.44) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL6607907 0.82 SMN1; SMN2 (0.46) MAPTKDM4ENPC1RAB9AL3MBTL1

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-1465864-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE Warner-Lambert Company LLC (US) 2004-10-13 EP disclosed
EP-0882714-B1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS PHARMACEUTICAL CO (JP) 2004-03-03 EP disclosed
WO-2003045912-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 WO disclosed
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 EP disclosed