SCHEMBL8565117

SCHEMBL8565117

COCCc1ccnc(N)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
LMNA P02545 5/20 0.38
HTT P42858 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MITF O75030 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MGMT P16455 2/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
NOD2 Q9HC29 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
SCHEMBL8558130 0.83 NOS2 (0.44) MAPTLMNAHTTKDM4EMITF
SCHEMBL5145767 0.81 MAPT (0.47) MAPTLMNAHTTKDM4EMITF
SCHEMBL27766587 0.81 HTT (0.44) MAPTLMNAHTTKDM4EMITF
SCHEMBL9987621 0.80 HTT (0.40) MAPTLMNAHTTKDM4EMITF
SCHEMBL8601080 0.79 HTT (0.43) MAPTLMNAHTTKDM4EMITF
SCHEMBL8566254 0.79 IKBKB (0.42) MAPTLMNAHTTKDM4EMITF
SCHEMBL8568292 0.79 ALDH1A1 (0.39) MAPTLMNAHTTKDM4ESMN1; SMN2
SCHEMBL4301431 0.78 MAPT (0.38) MAPTLMNAHTTKDM4EMITF
SCHEMBL16919118 0.77 HTT (0.51) MAPTLMNAHTTKDM4EMITF
SCHEMBL8560653 0.77 MEN1 (0.37) MAPTLMNAHTTKDM4ESMN1; SMN2

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