SCHEMBL9053015

SCHEMBL9053015

N#CC(=Cc1ccc(O)c2ncccc12)C(=O)NC(O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
KMT2A Q03164 7/20 0.45
MEN1 O00255 6/20 0.45
RAB9A P51151 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
NPC1 O15118 2/20 0.45
HSP90AA1 P07900 1/20 0.45
IDO1 P14902 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 5/20 0.44
BLM P54132 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C19 P33261 3/20 0.44
ALDH1A1 P00352 3/20 0.44
RGS12 O14924 2/20 0.44
GMNN O75496 2/20 0.44
TP53 P04637 2/20 0.44
CYP2C9 P11712 2/20 0.44
ALOX15 P16050 2/20 0.44

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
SCHEMBL7465913 0.83 MAPT (0.56) KDM4EKMT2AMEN1RAB9AL3MBTL1
SCHEMBL7466381 0.81 MEN1 (0.58) KDM4EKMT2AMEN1RAB9AMAPT
SCHEMBL28056488 0.81 KDM4E (0.57) KDM4EKMT2AMEN1RAB9AL3MBTL1
SCHEMBL9052435 0.80 MEN1 (0.60) KDM4EKMT2AMEN1RAB9AL3MBTL1
SCHEMBL7465966 0.79 KDM4E (0.59) KDM4EKMT2AMEN1RAB9AL3MBTL1
SCHEMBL7461237 0.78 MAPT (0.50) KDM4EKMT2AMEN1RAB9AL3MBTL1
SCHEMBL7466251 0.78 KDM4E (0.56) KDM4EKMT2AMEN1RAB9AL3MBTL1
SCHEMBL8830493 0.78 KDM4E (0.56) KDM4EKMT2AMEN1RAB9AL3MBTL1
SCHEMBL7466256 0.78 KDM4E (0.56) KDM4EKMT2AMEN1RAB9AL3MBTL1
SCHEMBL7459907 0.76 EGFR (0.57) KDM4EKMT2AMEN1RAB9AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700388-A1 SUBSTITUTED BETA-ARYL AND BETA-HETEROARYL-ALPHA-CYANOACRYLAMIDE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1996-03-13 EP claimed
WO-1995026341-A1 SUBSTITUTED BETA-ARYL AND BETA-HETEROARYL-ALPHA-CYANOACRYLAMIDE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA S.P.A. (IT) 1995-10-05 WO claimed