SCHEMBL8561733

SCHEMBL8561733

O=[N+]([O-])c1ncccc1C=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
NFE2L2 Q16236 2/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SNCA P37840 3/20 0.45
FBP1 P09467 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
TRPA1 O75762 1/20 0.41
ALK Q9UM73 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2641790 0.83 MAPT (0.50) MAPTNPC1RAB9AALDH1A1SNCA
SCHEMBL2641785 0.83 MAPT (0.50) MAPTNPC1RAB9AALDH1A1SNCA
SCHEMBL9000495 0.82 PDE10A (0.40) TAAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL2641940 0.80 SNCA (0.42) MAPTALDH1A1SNCAMEN1KMT2A
SCHEMBL8564865 0.80 ALK (0.46) TAAR1NFE2L2MAPTNPC1RAB9A
SCHEMBL8568414 0.80 RAB9A (0.40) NFE2L2MAPTNPC1RAB9AALDH1A1
SCHEMBL8568417 0.80 RAB9A (0.40) NFE2L2MAPTNPC1RAB9AALDH1A1
SCHEMBL2641942 0.79 SNCA (0.43) MAPTALDH1A1SNCAKDM4EMEN1
SCHEMBL2641936 0.79 SNCA (0.43) MAPTALDH1A1SNCAKDM4EMEN1
SCHEMBL27034756 0.78 TRIM24 (0.50) MAPTNPC1RAB9AALDH1A1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101018789-B Pyrrolo[2,3-c]pyridine derivatives and processes for the preparation thereof YUHAN CORP 2010-09-08 CN disclosed
CN-101018789-A Pyrrolo[2,3-c]pyridine derivatives and processes for the preparation thereof YUHAN CORP (KR) 2007-08-15 CN disclosed
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