SCHEMBL4311596

SCHEMBL4311596

NC(=O)c1cccc(-c2cccc(CC=NO)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.47
AOC3 Q16853 2/20 0.41
PARP1 P09874 4/20 0.41
DHODH Q02127 1/20 0.41
CFD P00746 1/20 0.41
FAAH O00519 1/20 0.40
CCNT1 O60563 1/20 0.40
CCND1 P24385 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
CCNH P51946 1/20 0.40
MNAT1 P51948 1/20 0.40
CDK6 Q00534 1/20 0.40

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
SCHEMBL4327800 0.79 AGXT (0.46) AOC3
SCHEMBL4940681 0.78 IKBKB (0.56) ERN1AOC3PARP1DHODHCFD
SCHEMBL172996 0.78 CFD (0.61) ERN1AOC3PARP1DHODHCFD
SCHEMBL2431097 0.77 PARP1 (0.64) ERN1PARP1DHODHCCNT1CCND1
SCHEMBL31422694 0.77 PARP1 (0.64) ERN1PARP1DHODHCCNT1CCND1
SCHEMBL12269244 0.76 ERN1 (0.49) ERN1AOC3PARP1DHODHCFD
SCHEMBL2635745 0.76 FOLH1 (0.56)
SCHEMBL172981 0.76 BCL2 (0.61) ERN1AOC3PARP1DHODHCFD
SCHEMBL28745456 0.76 FOLH1 (0.56)
SCHEMBL4944580 0.76 PARP1 (0.50) ERN1AOC3PARP1DHODHCFD

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-2009138416-A1 OXIME CARBAMOYL DERIVATIVES AS MODULATORS OF FATTY ACID AMIDES HYDROLASE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-11-19 WO disclosed