SCHEMBL8567201

SCHEMBL8567201

O=C(NCc1ccccc1)c1cnccc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.73
POLB P06746 1/20 0.62
HPGD P15428 3/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
GAA P10253 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
USP2 O75604 1/20 0.54
THRB P10828 1/20 0.53
SIRT6 Q8N6T7 1/20 0.53
LMNA P02545 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ROCK2 O75116 1/20 0.50

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
SCHEMBL19246188 0.84 KMT2A (0.75) HTTHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL30236290 0.84 KMT2A (0.75) HTTHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL6986059 0.84 HTT (1.00) HTTPOLBHPGDSMN1; SMN2KMT2A
SCHEMBL18477517 0.80 USP2 (0.72) HTTHPGDCYP1A2CYP2C19GAA
SCHEMBL8561530 0.79 HTT (0.52) HTTPOLBSMN1; SMN2GAAKMT2A
SCHEMBL8565140 0.78 HTT (0.55) HTTPOLBHPGDCYP1A2CYP3A4
SCHEMBL10370742 0.78 HTT (0.71) HTTHPGDGAAKMT2AUSP2
SCHEMBL7160222 0.78 HPGD (0.62) HTTHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL21296309 0.77 HPGD (0.63) HTTPOLBHPGDCYP1A2CYP3A4
SCHEMBL28676043 0.77 HPGD (0.62) HTTPOLBHPGDCYP1A2CYP3A4

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 4 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
CN-1138033-A Process for produducing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1996-12-18 CN disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed