SCHEMBL8568417

SCHEMBL8568417

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
S1PR4 O95977 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE10A Q9Y233 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
PKM P14618 2/20 0.37
TP53 P04637 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
POLB P06746 2/20 0.37
VCP P55072 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
MCL1 Q07820 1/20 0.36
CYP1A2 P05177 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
SCHEMBL8568414 1.00 RAB9A (0.40) RAB9ANPC1S1PR4MEN1KMT2A
SCHEMBL9000495 0.81 PDE10A (0.40) RAB9ANPC1S1PR4MEN1KMT2A
SCHEMBL27034756 0.80 TRIM24 (0.50) RAB9ANPC1S1PR4MEN1KMT2A
SCHEMBL8561733 0.80 TAAR1 (0.47) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL7749765 0.79 NPC1 (0.38) RAB9ANPC1S1PR4MEN1KMT2A
SCHEMBL3175616 0.79 KMT2A (0.40) RAB9ANPC1S1PR4MEN1KMT2A
SCHEMBL8565614 0.77 MAPT (0.33) RAB9ANPC1S1PR4MEN1KMT2A
SCHEMBL8565616 0.77 MAPT (0.33) RAB9ANPC1S1PR4MEN1KMT2A
SCHEMBL8567625 0.76 KMT2A (0.41) RAB9ANPC1S1PR4MEN1KMT2A
SCHEMBL8567627 0.76 KMT2A (0.41) RAB9ANPC1S1PR4MEN1KMT2A

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