SCHEMBL8564375

SCHEMBL8564375

O=C(Cc1ccccc1)c1cccnc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 5/20 0.44
MAPT P10636 5/20 0.44
HTT P42858 3/20 0.44
POLB P06746 2/20 0.44
ESR2 Q92731 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CYP2C9 P11712 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL8563396 0.82 CES2 (0.39) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL8564029 0.79 KDM4E (0.55) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL8564284 0.79 POLB (0.63) KMT2AMEN1ALDH1A1HTTPOLB
SCHEMBL8561998 0.79 NSD2 (0.60) KMT2AMEN1MAPTHTTLMNA
SCHEMBL8559950 0.78 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL8566020 0.77 MEN1 (0.52) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL8562600 0.76 LMNA (0.47) KMT2AALDH1A1MAPTHTTPOLB
SCHEMBL7371695 0.75 NAPRT (0.61) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL8560948 0.74 MAPT (0.51) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL8567678 0.74 ALDH1A1 (0.47) KMT2AALDH1A1MAPTHTTPOLB

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