SCHEMBL4726269

SCHEMBL4726269

CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1COc1cc(OC)ccc1-2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GABRA2 P47869 1/20 0.47
▸ GABRB2 P47870 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CCNA2 P20248 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ CCNA1 P78396 1/20 0.45
▸ CNR1 P21554 3/20 0.44
▸ CNR2 P34972 4/20 0.43
▸ SLC5A1 P13866 1/20 0.43
▸ SLC5A2 P31639 1/20 0.43

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
SCHEMBL4729577 0.88 CNR1 (0.45) CNR1CNR2
Hydrochloric Acid SCHEMBL4730227 0.87 CNR1 (0.44) CCNA2CDK2CCNA1CNR1CNR2
SCHEMBL2912707 0.85 KDM4E (0.50) KDM4EMEN1MAPTMAPK1KMT2A
Hydrochloric Acid SCHEMBL4726837 0.81 CNR1 (0.63) CNR1CNR2
SCHEMBL2911118 0.77 CNR2 (0.66) CNR1CNR2
SCHEMBL2875643 0.77 CNR1 (0.63) GABRA2GABRB2KDM4EMEN1MAPT
SCHEMBL2905618 0.77 CNR2 (0.66) CNR1CNR2
SCHEMBL2906584 0.75 CNR2 (0.57) CNR1CNR2
SCHEMBL4914356 0.75 GABRA2 (0.60) GABRA2GABRB2KDM4EMEN1MAPT
SCHEMBL12046664 0.75 RAD52 (0.51) KDM4EMAPTCCNA2CDK2CCNA1

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-2008035356-A2 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-03-27 — — WO claimed
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