SCHEMBL8566957

SCHEMBL8566957

NS(=O)(=O)c1cc([N+](=O)[O-])c2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 5/20 0.45
PKM P14618 2/20 0.45
MAPK1 P28482 2/20 0.45
NPC1 O15118 1/20 0.45
CTSB P07858 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
HPGD P15428 1/20 0.45
BLM P54132 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 3/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PIM1 P11309 2/20 0.44
PIM3 Q86V86 2/20 0.44

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
SCHEMBL8562084 0.85 MEN1 (0.44) MAPTTDP1POLBKMT2AMAPK1
SCHEMBL8563233 0.80 ALDH1A1 (0.52) MAPTTDP1POLBKMT2AMAPK1
SCHEMBL8599781 0.78 KMT2A (0.42) MAPTTDP1POLBKMT2AMAPK1
SCHEMBL8561151 0.78 BACE1 (0.51) MAPTTDP1POLBKMT2AMAPK1
SCHEMBL8561794 0.77 VCAM1 (0.57) MAPTPOLBKMT2AMAPK1CTSB
SCHEMBL8561585 0.77 PIN1 (0.41) MAPTTDP1POLBKMT2AMAPK1
SCHEMBL8600014 0.76 TXNRD1 (0.49) MAPTKMT2AMAPK1CYP1A2MEN1
SCHEMBL16833053 0.76 GRM2 (0.41) MAPTTDP1POLBKMT2AKDM4E
SCHEMBL3298254 0.76 KMT2A (0.54) MAPTTDP1POLBKMT2AMAPK1
SCHEMBL8599530 0.75 MEN1 (0.41) MAPTTDP1POLBKMT2AMAPK1

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