SCHEMBL8562154

SCHEMBL8562154

C=C(c1ccccc1)c1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
ABCG2 Q9UNQ0 4/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GSK3B P49841 2/20 0.38
ABCB1 P08183 1/20 0.38
AURKA O14965 1/20 0.38
GSK3A P49840 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
HTT P42858 1/20 0.37
PIN1 Q13526 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
GUSB P08236 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
SCHEMBL8569505 0.82 POLB (0.47) POLBABCG2MEN1KMT2AMAPT
SCHEMBL8568499 0.78 POLB (0.46) POLBABCG2MEN1KMT2AMAPT
SCHEMBL8560474 0.78 POLB (0.46) POLBABCG2MEN1KMT2AMAPT
SCHEMBL8568264 0.76 POLB (0.41) POLBABCG2RAB9ASMN1; SMN2HTT
SCHEMBL1033969 0.74 POLB (0.51) POLBABCG2MEN1KMT2AMAPT
SCHEMBL8562130 0.74 MAPT (0.40) POLBABCG2MEN1KMT2AMAPT
SCHEMBL8565973 0.74 KDM4E (0.38) POLBABCG2MEN1KMT2AMAPT
SCHEMBL8560780 0.74 GAA (0.54) MEN1KMT2AMAPK1SMN1; SMN2GSK3B
SCHEMBL8569274 0.73 MEN1 (0.43) POLBABCG2MEN1KMT2AMAPT
SCHEMBL8566078 0.73 PIN1 (0.45) POLBMEN1KMT2AMAPTMAPK1

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