SCHEMBL8565008

SCHEMBL8565008

Nc1ccnc(C(=O)NCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
KMT2A Q03164 2/20 0.52
HTT P42858 3/20 0.46
ADORA2A P29274 1/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 1/20 0.46
OPRK1 P41145 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 1/20 0.44
NSD2 O96028 1/20 0.44
MMP13 P45452 1/20 0.44
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL8567354 0.81 HTT (0.40) HPGDKMT2AHTTALDH1A1RAB9A
SCHEMBL8568952 0.80 HTT (0.52) HPGDKMT2AHTTGAACYP3A4
SCHEMBL8599362 0.79 SMN1; SMN2 (0.43) HPGDKMT2AHTTGAAALDH1A1
SCHEMBL8563502 0.78 HTT (0.58) HPGDKMT2AHTTGAAALDH1A1
SCHEMBL8564059 0.78 RAB9A (0.49) KMT2AADORA2AALDH1A1RAB9AMAPT
SCHEMBL7138975 0.77 KMT2A (0.61) KMT2AHTTADORA2AGAAALDH1A1
SCHEMBL31026208 0.77 KMT2A (0.61) KMT2AHTTADORA2AGAAALDH1A1
SCHEMBL8601107 0.77 NAAA (0.45) KMT2AHTTALDH1A1RAB9AMAPT
SCHEMBL8560819 0.77 HPGD (0.53) HPGDADORA2AGAACYP3A4CYP2D6
SCHEMBL8562625 0.76 HTT (0.67) HPGDHTTALDH1A1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed