SCHEMBL9380440

SCHEMBL9380440

CC1C(=O)Nc2cc(C#N)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PGR P06401 4/20 0.42
ACVR1 Q04771 2/20 0.40
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
LTK P29376 1/20 0.39

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
SCHEMBL9376120 0.80 PGR (0.46) KDM4EALDH1A1MAPTSMN1; SMN2PGR
SCHEMBL9376580 0.80 KDM4E (0.42) KDM4EALDH1A1MAPTSMN1; SMN2PGR
SCHEMBL9376117 0.77 MAPT (0.40) KDM4EALDH1A1MAPTSMN1; SMN2PGR
SCHEMBL10373369 0.77 AR (0.38) KDM4EALDH1A1MAPTPGRCLK2
SCHEMBL24112743 0.75 PGR (0.46) KDM4EMAPTPGRACVR1BMPR1B
SCHEMBL13091038 0.75 PGR (0.46) KDM4EMAPTPGRACVR1BMPR1B
SCHEMBL27581885 0.74 KDM4E (0.38) KDM4EALDH1A1MAPTSMN1; SMN2PGR
SCHEMBL2239581 0.74 PGR (0.45) MAPTPGRACVR1BMPR1BBMPR1A
SCHEMBL13734072 0.74 PGR (0.60) PGRACVR1BMPR1BBMPR1ATGFBR1
SCHEMBL24112918 0.74 PGR (0.60) PGRACVR1BMPR1BBMPR1ATGFBR1

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-0344634-B1 Bicyclic carboxamides, process for their preparation and medicaments containing them BOEHRINGER MANNHEIM GMBH (DE) 1994-03-30 EP disclosed
US-5019587-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1991-05-28 US disclosed
CN-1038640-A Two ring carboxamide, its preparation methods and contain the pharmaceutical composition of this material BOEHRINGER MANNHEIM GMBH (DE) 1990-01-10 CN disclosed
EP-0344634-A1 Bicyclic carboxamides, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1989-12-06 EP disclosed