SCHEMBL4783428

SCHEMBL4783428

NC(=O)C1=NN(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 10/20 0.53
PDE5A O76074 2/20 0.53
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
CNR1 P21554 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
PTGS2 P35354 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL4783592 0.93 MEN1 (0.54) PRKCZPDE5ACNR1MAOAMAOB
SCHEMBL3690744 0.93 CNR1 (0.56) PRKCZPDE5ACNR1MAOAMAOB
SCHEMBL2991907 0.84 CNR1 (0.64) PRKCZPDE5ACNR1MAOAMAOB
SCHEMBL4783006 0.84 CNR1 (0.50) PRKCZPDE5ACNR1MAOAMAOB
Hydrochloric Acid SCHEMBL2996363 0.83 CNR1 (0.62) PRKCZPDE5ACNR1MAOAMAOB
SCHEMBL4784951 0.82 MEN1 (0.51) PRKCZPDE5ACA12CA9CNR1
SCHEMBL1023193 0.81 CNR1 (0.58) PRKCZPDE5ACNR1ALDH1A1LMNA
SCHEMBL9252390 0.81 CNR1 (0.53) PRKCZPDE5ACNR1
Hydrochloric Acid SCHEMBL1039418 0.80 CNR1 (0.57) PRKCZPDE5ACNR1ALDH1A1LMNA
SCHEMBL6526992 0.80 CNR1 (0.57) PRKCZPDE5ACNR1ALDH1A1LMNA

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-2008062424-A2 SUBSTITUTED 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVES AS CANNABINOID MODULATORS CADILA HEALTHCARE LIMITED (IN) 2008-05-29 WO disclosed