SCHEMBL8561173

SCHEMBL8561173

Nc1cc(C=Cc2ccccc2)c([N+](=O)[O-])cn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.45
CYP19A1 P11511 3/20 0.44
TAAR1 Q96RJ0 1/20 0.43
KDM4A O75164 1/20 0.40
KDM4B O94953 1/20 0.40
MAPT P10636 2/20 0.40
EGFR P00533 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 3/20 0.39
RAB9A P51151 3/20 0.39
BACE1 P56817 1/20 0.38
GRM4 Q14833 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL8567383 0.80 EGFR (0.36) KDM4AKDM4BMAPTEGFRALDH1A1
SCHEMBL8567381 0.80 EGFR (0.36) KDM4AKDM4BMAPTEGFRALDH1A1
SCHEMBL17801662 0.77 ALDH1A1 (0.45) MAPTEGFRALDH1A1MEN1KMT2A
SCHEMBL31161596 0.75 ALDH1A1 (0.35) MAPTEGFRALDH1A1MEN1KMT2A
SCHEMBL29594574 0.74 MAPT (0.66) NFE2L2CYP19A1MAPTFBP1ALDH1A1
SCHEMBL5442818 0.74 MAPT (0.66) NFE2L2CYP19A1MAPTFBP1ALDH1A1
SCHEMBL1578978 0.74 MAPT (0.66) NFE2L2CYP19A1MAPTFBP1ALDH1A1
SCHEMBL1578983 0.74 MAPT (0.66) NFE2L2CYP19A1MAPTFBP1ALDH1A1
SCHEMBL8562885 0.74 NFE2L2 (0.45) NFE2L2CYP19A1TAAR1MAPTFBP1
SCHEMBL8566996 0.74 CYP11B1 (0.50) NFE2L2CYP19A1TAAR1MAPTFBP1

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