SCHEMBL4783592

SCHEMBL4783592

NC(=O)C1=NN(c2ccccc2)C(c2ccc(Cl)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54
PRKCZ Q05513 5/20 0.53
MAOA P21397 3/20 0.53
MAOB P27338 3/20 0.53
CNR1 P21554 4/20 0.51
PDE5A O76074 2/20 0.50
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
EGFR P00533 1/20 0.48
ERBB2 P04626 1/20 0.48
CNR2 P34972 1/20 0.47

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
SCHEMBL3690744 0.95 CNR1 (0.56) MEN1KMT2AATMPRKCZMAOA
SCHEMBL4783428 0.93 PRKCZ (0.53) MEN1KMT2AATMPRKCZMAOA
SCHEMBL4784951 0.90 MEN1 (0.51) MEN1KMT2AATMPRKCZCNR1
SCHEMBL4783006 0.86 CNR1 (0.50) MEN1KMT2AATMPRKCZMAOA
SCHEMBL1023193 0.83 CNR1 (0.58) MEN1KMT2APRKCZCNR1PDE5A
Hydrochloric Acid SCHEMBL1039418 0.82 CNR1 (0.57) MEN1KMT2AATMPRKCZCNR1
SCHEMBL6526992 0.82 CNR1 (0.57) MEN1KMT2AATMPRKCZCNR1
SCHEMBL11060811 0.81 PRKCZ (0.56) MEN1KMT2AATMPRKCZMAOA
SCHEMBL675827 0.81 CNR1 (0.54) PRKCZMAOAMAOBCNR1PDE5A
SCHEMBL2991907 0.81 CNR1 (0.64) PRKCZMAOAMAOBCNR1PDE5A

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