SCHEMBL4387931

SCHEMBL4387931

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 13/20 0.67
STK17A Q9UEE5 1/20 0.55
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
SIRT5 Q9NXA8 1/20 0.48
PKM P14618 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DCLK1 O15075 1/20 0.47
MAP4K4 O95819 1/20 0.47
CDK1 P06493 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
PIM1 P11309 1/20 0.47
CYP2C9 P11712 1/20 0.47
PRKACA P17612 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
SCHEMBL5406390 0.88 PRKCQ (0.64) PRKCQSTK17AMAPTL3MBTL1NPC1
SCHEMBL4392873 0.88 PRKCQ (0.67) PRKCQSIRT5CYP3A4CYP2C9
SCHEMBL4384358 0.87 PRKCQ (0.65) PRKCQMAPTSIRT5GSK3B
SCHEMBL4387612 0.87 PRKCQ (0.68) PRKCQSTK17ASIRT5DCLK1MAP4K4
SCHEMBL4385085 0.86 PRKCQ (0.54) PRKCQSTK17ADCLK1MAP4K4CDK1
SCHEMBL4384306 0.84 PRKCQ (0.53) PRKCQSTK17A
SCHEMBL4389712 0.84 PRKCQ (0.54) PRKCQSTK17ADCLK1MAP4K4CDK1
SCHEMBL3179949 0.82 PRKCQ (0.58) PRKCQSTK17AMAPTNPC1ALDH1A1
SCHEMBL1916457 0.82 STK17A (0.66) PRKCQSTK17AMAPTNPC1ALDH1A1
SCHEMBL1916912 0.81 STK17A (0.70) PRKCQSTK17AMAPTPKMMEN1

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