SCHEMBL4591602

SCHEMBL4591602

Cc1c[nH]c(-c2cccc(Cl)c2C#N)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 5/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HIF1A Q16665 2/20 0.37
TSHR P16473 1/20 0.37
GALR3 O60755 1/20 0.37
GAA P10253 2/20 0.36
ALOX15 P16050 2/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
ALOX12 P18054 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
DYRK1A Q13627 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ADORA2A P29274 2/20 0.35

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
SCHEMBL4591037 0.82 DYRK1A (0.40) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL16481978 0.80 IDO1 (0.45) KDM4EALDH1A1HPGDKMT2AMAPT
SCHEMBL3322110 0.79 MGAM (0.47) KDM4EALDH1A1HPGDKMT2AGAA
SCHEMBL5179235 0.77 KDM4E (0.35) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL29565108 0.77 KMO (0.38) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL4592321 0.75 TRPA1 (0.42) KDM4EHPGDHSD17B10TSHRCYP1A2
SCHEMBL4590941 0.71 MCL1 (0.39) KDM4EALDH1A1HPGDKMT2AMEN1
Hydrochloric Acid SCHEMBL4345831 0.70 HPGD (0.38) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL4591687 0.70 KDM4E (0.39) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL17069012 0.69 NUDT1 (0.36) ALDH1A1HPGDGAAMGAMSI

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