SCHEMBL4392873

SCHEMBL4392873

[CH2]CNc1nc(NCc2ccc(F)cc2)ncc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 17/20 0.67
SIRT5 Q9NXA8 1/20 0.48
HTT P42858 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL4387931 0.88 PRKCQ (0.67) PRKCQSIRT5CYP3A4CYP2C9
SCHEMBL4384358 0.87 PRKCQ (0.65) PRKCQSIRT5
SCHEMBL4384306 0.87 PRKCQ (0.53) PRKCQ
SCHEMBL4380044 0.86 PRKCQ (0.69) PRKCQSIRT5CYP1A2
SCHEMBL4385085 0.84 PRKCQ (0.54) PRKCQCYP3A4CYP2C9
SCHEMBL4389712 0.84 PRKCQ (0.54) PRKCQCYP3A4CYP2C9
SCHEMBL3180778 0.82 PRKCQ (0.58) PRKCQSIRT5CYP1A2CYP3A4CYP2C9
SCHEMBL13794971 0.81 PRKCQ (1.00) PRKCQCYP3A4CYP2C9
SCHEMBL4387612 0.80 PRKCQ (0.68) PRKCQSIRT5CYP3A4CYP2C9
SCHEMBL3707444 0.76 PRKCQ (0.52) PRKCQSIRT5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2131844-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS CV Therapeutics Inc. (US) 2009-12-16 EP disclosed
WO-2008123891-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS CV THERAPEUTICS, INC. (US) 2008-10-16 WO disclosed