SCHEMBL8601080

SCHEMBL8601080

CCCCCc1ccnc(N)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.43
LMNA P02545 4/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 4/20 0.39
TLR8 Q9NR97 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MITF O75030 1/20 0.38
NOS2 P35228 1/20 0.37
TLR7 Q9NYK1 2/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPY1R P25929 1/20 0.36
KCNH2 Q12809 1/20 0.35
NOD2 Q9HC29 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL27766587 0.95 HTT (0.44) HTTLMNAKMT2AMEN1MAPT
SCHEMBL8558130 0.89 NOS2 (0.44) HTTLMNAKMT2AMEN1MAPT
SCHEMBL5145767 0.84 MAPT (0.47) HTTLMNAKMT2AMEN1MAPT
SCHEMBL9987621 0.80 HTT (0.40) HTTLMNAKMT2AMAPTKDM4E
SCHEMBL8565117 0.79 MAPT (0.39) HTTLMNAKMT2AMEN1MAPT
SCHEMBL8600006 0.79 HTT (0.36) HTTLMNAKMT2AMEN1MAPT
SCHEMBL8599059 0.78 CYP19A1 (0.43) HTTLMNAKMT2AMEN1MAPT
SCHEMBL28003388 0.78 BID (0.38) HTTKMT2AMEN1MAPTTLR8
SCHEMBL16919118 0.77 HTT (0.51) HTTLMNAKMT2AMEN1MAPT
SCHEMBL16919103 0.77 GFER (0.41) HTTLMNAMAPTKDM4EMITF

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