SCHEMBL8564862

SCHEMBL8564862

C=C(c1ccccc1)c1ccnc([N+](=O)[O-])c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ASPH Q12797 1/20 0.37
KDM8 Q8N371 1/20 0.37
MAPK1 P28482 1/20 0.35
CES2 O00748 2/20 0.34
CES1 P23141 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
F12 P00748 2/20 0.34
MAPK14 Q16539 1/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.32
F2 P00734 1/20 0.32
PLAU P00749 1/20 0.32
KLKB1 P03952 1/20 0.32
ELANE P08246 1/20 0.32

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
SCHEMBL8561727 0.84 KMT2A (0.42) KDM4ECES2CES1MEN1KMT2A
SCHEMBL8570524 0.80 MAPT (0.42) KDM4EMAPK1MEN1KMT2AMAPT
SCHEMBL8560442 0.79 KDM4E (0.45) KDM4EASPHKDM8MEN1KMT2A
SCHEMBL8562881 0.76 MAPK1 (0.37) MAPK1CES2CES1F12MAPK14
SCHEMBL8567497 0.75 ALDH1A1 (0.42) KDM4EASPHKDM8MEN1KMT2A
SCHEMBL8563396 0.75 CES2 (0.39) KDM4EASPHKDM8CES2CES1
SCHEMBL8563829 0.74 MAPK1 (0.37) KDM4EASPHKDM8MAPK1KMT2A
SCHEMBL8561698 0.72 NSD2 (0.50) MAPK1MEN1KMT2AHTTLMNA
SCHEMBL8560654 0.72 RAB9A (0.52) MAPK1MEN1KMT2AMAPTHTT
SCHEMBL8565828 0.71 MAPT (0.39) KDM4EASPHKDM8MAPK1CES2

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