SCHEMBL8564865

SCHEMBL8564865

Nc1c(C=Cc2ccccc2)ccnc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.46
TAAR1 Q96RJ0 1/20 0.43
NFE2L2 Q16236 1/20 0.43
GRM4 Q14833 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
FBP1 P09467 1/20 0.41
SNCA P37840 5/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CYP19A1 P11511 3/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL8565614 0.80 MAPT (0.33) NFE2L2NPC1MAPTRAB9AALDH1A1
SCHEMBL8565616 0.80 MAPT (0.33) NFE2L2NPC1MAPTRAB9AALDH1A1
SCHEMBL8561733 0.80 TAAR1 (0.47) ALKTAAR1NFE2L2FBP1SNCA
SCHEMBL8570526 0.79 TAAR1 (0.43) ALKTAAR1NFE2L2GRM4HDAC6
SCHEMBL8562885 0.75 NFE2L2 (0.45) TAAR1NFE2L2GRM4HDAC6FBP1
SCHEMBL27367337 0.75 MAPT (0.53) NFE2L2FBP1NPC1MAPTRAB9A
SCHEMBL8599262 0.74 KMT2A (0.33) NPC1MAPTRAB9AALDH1A1MEN1
SCHEMBL8599258 0.74 KMT2A (0.33) NPC1MAPTRAB9AALDH1A1MEN1
SCHEMBL8565832 0.71 TAAR1 (0.50) TAAR1NFE2L2GRM4HDAC6FBP1
SCHEMBL8141010 0.70 HTT (0.37) MAPTALDH1A1MEN1KMT2APOLB

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