SCHEMBL4024237

SCHEMBL4024237

CCOC(=O)c1cc2c(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3Cl)nc2n(CCC#N)c1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CNR1 P21554 3/20 0.46
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
CNR2 P34972 8/20 0.43
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42

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
SCHEMBL4021209 0.88 CNR1 (0.47) CNR1CNR2GABRA2GABRB2
SCHEMBL4027019 0.88 CNR1 (0.46) CNR1CNR2GABRA2GABRB2
SCHEMBL4192532 0.87 CNR1 (0.46) CNR1CNR2GABRA2GABRB2
SCHEMBL4193133 0.85 RPA1 (0.47) CNR1CNR2
SCHEMBL4024702 0.84 CNR1 (0.48) KDM4EALDH1A1HPGDCNR1MAPK1
SCHEMBL4017898 0.80 RPA1 (0.46) CNR1CNR2
SCHEMBL4181240 0.80 CNR1 (0.49) CNR1CNR2
SCHEMBL4019722 0.79 CNR1 (0.48) CNR1
SCHEMBL4020761 0.78 CNR1 (0.45) ALDH1A1CNR1CNR2
SCHEMBL4189580 0.78 CNR2 (0.46) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009095752-A1 FUSED PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-08-06 WO disclosed