SCHEMBL8562235

SCHEMBL8562235

Nc1cnc([N+](=O)[O-])c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.48
TSHR P16473 3/20 0.48
ALDH1A1 P00352 7/20 0.44
ALOX15 P16050 3/20 0.44
CYP3A4 P08684 3/20 0.44
MAPT P10636 6/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
RECQL P46063 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GPR35 Q9HC97 1/20 0.36
LMNA P02545 2/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL8568828 0.88 TDP1 (0.48) TDP1TSHRALDH1A1ALOX15CYP3A4
SCHEMBL8566803 0.82 ALOX15 (0.44) TDP1TSHRALDH1A1ALOX15CYP3A4
SCHEMBL8566378 0.80 ALDH1A1 (0.36) TDP1TSHRALDH1A1ALOX15CYP3A4
SCHEMBL28076647 0.80 MAPT (0.45) TDP1TSHRALDH1A1ALOX15CYP3A4
SCHEMBL28874590 0.80 PDE7A (0.37) TDP1TSHRALDH1A1ALOX15CYP3A4
SCHEMBL899057 0.80 MAPT (0.41) TDP1TSHRALDH1A1ALOX15CYP3A4
SCHEMBL711811 0.80 MAPT (0.37) TDP1TSHRALDH1A1ALOX15CYP3A4
SCHEMBL28766046 0.78 ALDH1A1 (0.37) TDP1TSHRALDH1A1ALOX15CYP3A4
SCHEMBL8569645 0.76 ALDH1A1 (0.42) TDP1TSHRALDH1A1ALOX15CYP3A4
SCHEMBL8561102 0.76 XDH (0.41) TDP1ALDH1A1ALOX15MAPTMEN1

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