SCHEMBL8601536

SCHEMBL8601536

C=CCc1cccnc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
S1PR4 O95977 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
POLB P06746 3/20 0.39
KDM4E B2RXH2 2/20 0.39
RECQL P46063 1/20 0.39
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE10A Q9Y233 1/20 0.37
HTT P42858 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
SCHEMBL8601106 0.78 PDE4A (0.35) PDE4APDE4CPDE4DKMT2AMEN1
SCHEMBL2125795 0.77 KMT2A (0.43) PDE4DKMT2AMEN1NPC1RAB9A
SCHEMBL5117671 0.77 ALDH1A1 (0.44) PDE4DKMT2AMEN1NPC1RAB9A
SCHEMBL8529530 0.77 KMT2A (0.43) KMT2AMEN1NPC1RAB9AS1PR4
SCHEMBL540885 0.77 ALDH1A1 (0.52) KMT2AMEN1NPC1RAB9AS1PR4
SCHEMBL27873051 0.75 KMT2A (0.41) KMT2AMEN1NPC1RAB9AS1PR4
SCHEMBL3167072 0.75 KMT2A (0.41) KMT2AMEN1NPC1RAB9AS1PR4
SCHEMBL29903448 0.75 KMT2A (0.41) KMT2AMEN1NPC1RAB9AS1PR4
SCHEMBL3175616 0.74 KMT2A (0.40) KMT2AMEN1NPC1RAB9AS1PR4
SCHEMBL7116983 0.73 KMT2A (0.50) KMT2AMEN1NPC1RAB9AALDH1A1

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 4 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
CN-1138033-A Process for produducing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1996-12-18 CN disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed