SCHEMBL8562885

SCHEMBL8562885

Nc1cnc([N+](=O)[O-])c(C=Cc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.45
TAAR1 Q96RJ0 1/20 0.43
CYP19A1 P11511 5/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
FBP1 P09467 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
GRM4 Q14833 4/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
POLB P06746 1/20 0.36
NQO2 P16083 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
SCHEMBL8559625 0.80 IDO1 (0.33) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL8559630 0.80 IDO1 (0.33) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL8561733 0.76 TAAR1 (0.47) NFE2L2TAAR1CYP19A1FBP1ALDH1A1
SCHEMBL8564865 0.75 ALK (0.46) NFE2L2TAAR1CYP19A1MAOAMAOB
SCHEMBL8561173 0.74 NFE2L2 (0.45) NFE2L2TAAR1CYP19A1MAOBFBP1
SCHEMBL8563923 0.73 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL8563926 0.73 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL8568534 0.72 CYP19A1 (0.40) CYP19A1NPC1MAPTRAB9APOLB
SCHEMBL8568618 0.71 NFE2L2 (0.44) NFE2L2TAAR1CYP19A1MAOAMAOB
SCHEMBL8570526 0.70 TAAR1 (0.43) NFE2L2TAAR1CYP19A1MAOAMAOB

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