SCHEMBL4311599

SCHEMBL4311599

CC(=NO)c1cccc(-c2cccc(C(N)=O)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.50
ERN1 O75460 3/20 0.49
BAZ2B Q9UIF8 1/20 0.48
BAZ2A Q9UIF9 1/20 0.48
DHODH Q02127 2/20 0.46
CSF1R P07333 1/20 0.46
FLT1 P17948 1/20 0.46
FLT3 P36888 1/20 0.46
PARP15 Q460N3 1/20 0.45
PARP10 Q53GL7 1/20 0.45
CCNT1 O60563 1/20 0.44
CCND1 P24385 1/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
CCNH P51946 1/20 0.44
MNAT1 P51948 1/20 0.44
CDK6 Q00534 1/20 0.44
FURIN P09958 1/20 0.44

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
SCHEMBL4311592 1.00 PARP1 (0.50) PARP1ERN1BAZ2BBAZ2ADHODH
SCHEMBL31422694 0.83 PARP1 (0.64) PARP1ERN1DHODHCCNT1CCND1
SCHEMBL2431097 0.83 PARP1 (0.64) PARP1ERN1DHODHCCNT1CCND1
SCHEMBL8310029 0.82 KMO (0.52)
SCHEMBL4327798 0.82 KMO (0.52)
SCHEMBL6999225 0.81 DHODH (0.63) PARP1ERN1DHODHCSF1RFLT1
SCHEMBL29788172 0.77 DHODH (0.70) PARP1ERN1DHODHCSF1RFLT1
SCHEMBL43553 0.77 DHODH (0.70) PARP1ERN1DHODHCSF1RFLT1
SCHEMBL3717105 0.77 MAPT (0.60) PARP1ERN1BAZ2BBAZ2ADHODH
SCHEMBL5605353 0.77 PARP1 (0.78) PARP1ERN1DHODHCSF1RFLT1

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