SCHEMBL8565832

SCHEMBL8565832

Nc1ccnc(C=Cc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
NFE2L2 Q16236 1/20 0.43
MAPT P10636 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
GRM4 Q14833 6/20 0.42
HDAC6 Q9UBN7 1/20 0.42
FBP1 P09467 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP19A1 P11511 1/20 0.37

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
SCHEMBL8567654 0.80 MEN1 (0.40) NFE2L2MAPTMEN1KMT2ANPC1
SCHEMBL8567655 0.80 MEN1 (0.40) NFE2L2MAPTMEN1KMT2ANPC1
SCHEMBL8570526 0.77 TAAR1 (0.43) TAAR1NFE2L2MAPTMEN1KMT2A
SCHEMBL8561311 0.74 MEN1 (0.35) NFE2L2MAPTMEN1KMT2AALDH1A1
SCHEMBL8561307 0.74 MEN1 (0.35) NFE2L2MAPTMEN1KMT2AALDH1A1
SCHEMBL1736679 0.74 TAAR1 (0.57) TAAR1NFE2L2MAPTMEN1KMT2A
SCHEMBL1736681 0.74 TAAR1 (0.57) TAAR1NFE2L2MAPTMEN1KMT2A
SCHEMBL8855377 0.74 NFE2L2 (0.50) TAAR1NFE2L2MAPTMEN1KMT2A
SCHEMBL8560906 0.72 TAAR1 (0.46) TAAR1NFE2L2MAPTMEN1KMT2A
SCHEMBL8662385 0.72 ABCC8 (0.43) NFE2L2MAPTMEN1KMT2AALDH1A1

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