SCHEMBL4592503

SCHEMBL4592503

COc1ccc(-c2nc(C)c[nH]2)c(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.42
KDM4E B2RXH2 4/20 0.40
MAPT P10636 2/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
USP8 P40818 2/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MAPK1 P28482 4/20 0.40
CASP1 P29466 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CASP7 P55210 3/20 0.40
TDP1 Q9NUW8 3/20 0.40

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
SCHEMBL4591549 0.84 DHODH (0.41) L3MBTL1HSP90AB1XDHPOLB
SCHEMBL4591503 0.82 HSP90AB1 (0.42) KDM4EMAPTUSP8HSP90AB1MEN1
SCHEMBL4590957 0.81 HSP90AB1 (0.45) USP8HSP90AB1RAB9APRMT5WDR77
SCHEMBL4590941 0.80 MCL1 (0.39) KDM4EMAPTUSP8PPARGNPSR1
SCHEMBL3633331 0.80 KDM4E (0.41) KDM4EMAPTHSP90AB1MEN1KMT2A
SCHEMBL4591479 0.80 HSP90AB1 (0.34) HSP90AB1LRRK2
SCHEMBL2323777 0.80 PTGES (0.38) KDM4ERXFP1HSP90AB1LRRK2
SCHEMBL31429628 0.80 MGAM (0.52) KDM4EMAPTNCOA1NPSR1NCOA3
SCHEMBL4591744 0.77 XDH (0.40) HSP90AB1XDH
SCHEMBL4591279 0.77 HSP90AB1 (0.35) HSP90AB1

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-1937688-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP disclosed
EP-1828194-A1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS F. Hoffmann-Roche AG (CH) 2007-09-05 EP disclosed
WO-2007042421-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 WO disclosed
WO-2006063708-A1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO disclosed