SCHEMBL8562402

SCHEMBL8562402

NS(=O)(=O)c1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
MAPT P10636 4/20 0.40
PKM P14618 2/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
CYP1A2 P05177 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL8560319 0.85 POLB (0.46) POLBKMT2AMEN1MAPTMAPK1
SCHEMBL8570216 0.79 TXNRD1 (0.48) POLBKMT2AMEN1MAPTMAPK1
SCHEMBL8598588 0.78 POLB (0.40) POLBKMT2AMEN1MAPTMAPK1
SCHEMBL202880 0.78 POLB (0.51) POLBKMT2AMEN1MAPTMAPK1
SCHEMBL8597354 0.76 TXNRD1 (0.46) POLBKMT2AMEN1MAPTNPC1
SCHEMBL8564800 0.76 VCAM1 (0.53) POLBKMT2AMEN1CA12CA9
SCHEMBL8562983 0.76 PIN1 (0.48) POLBKMT2AMEN1CA1CA2
SCHEMBL8561101 0.76 POLB (0.53) POLBKMT2AMEN1MAPTMAPK1
SCHEMBL8599584 0.75 MEN1 (0.39) POLBKMT2AMEN1CA12MAPT
SCHEMBL8628610 0.75 POLB (0.38) POLBKMT2AMEN1MAPTNPC1

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