SCHEMBL8568618

SCHEMBL8568618

Nc1cncc(C=Cc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
GRM4 Q14833 1/20 0.43
FBP1 P09467 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP19A1 P11511 3/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
VCP P55072 1/20 0.36
CYP1B1 Q16678 1/20 0.36
SNCA P37840 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL8855377 0.81 NFE2L2 (0.50) NFE2L2MEN1KMT2APOLBFBP1
SCHEMBL8562217 0.81 MEN1 (0.38) NFE2L2MEN1KMT2APOLBMAPT
SCHEMBL8562220 0.81 MEN1 (0.38) NFE2L2MEN1KMT2APOLBMAPT
SCHEMBL8570526 0.75 TAAR1 (0.43) NFE2L2MEN1KMT2APOLBGRM4
SCHEMBL8566844 0.74 MEN1 (0.40) NFE2L2MEN1KMT2APOLBMAPT
SCHEMBL8566996 0.73 CYP11B1 (0.50) NFE2L2MEN1KMT2AFBP1TAAR1
SCHEMBL8560215 0.72 ALDH1A1 (0.33) NFE2L2MEN1KMT2AMAPTALDH1A1
SCHEMBL8565832 0.72 TAAR1 (0.50) NFE2L2MEN1KMT2APOLBGRM4
SCHEMBL8561173 0.71 NFE2L2 (0.45) NFE2L2MEN1KMT2AGRM4FBP1
SCHEMBL8562885 0.71 NFE2L2 (0.45) NFE2L2MEN1KMT2APOLBGRM4

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