SCHEMBL8568828

SCHEMBL8568828

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.48
ALDH1A1 P00352 4/20 0.48
ALOX15 P16050 3/20 0.48
CYP3A4 P08684 3/20 0.48
TSHR P16473 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
RECQL P46063 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 4/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
MCL1 Q07820 1/20 0.39
HPGD P15428 1/20 0.38
GPR35 Q9HC97 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
SCHEMBL8562235 0.88 TDP1 (0.48) TDP1ALDH1A1ALOX15CYP3A4TSHR
SCHEMBL30467812 0.83 TDP1 (0.48) TDP1ALDH1A1ALOX15CYP3A4TSHR
SCHEMBL9367583 0.83 TDP1 (0.48) TDP1ALDH1A1ALOX15CYP3A4TSHR
SCHEMBL8566803 0.82 ALOX15 (0.44) TDP1ALDH1A1ALOX15CYP3A4TSHR
SCHEMBL28076647 0.80 MAPT (0.45) TDP1ALDH1A1ALOX15CYP3A4TSHR
SCHEMBL5623763 0.80 TSHR (0.52) TDP1ALDH1A1ALOX15CYP3A4TSHR
SCHEMBL8566378 0.80 ALDH1A1 (0.36) TDP1ALDH1A1ALOX15CYP3A4TSHR
SCHEMBL9974734 0.80 ALDH1A1 (0.46) TDP1ALDH1A1ALOX15CYP3A4TSHR
SCHEMBL12161520 0.80 ALDH1A1 (0.46) TDP1ALDH1A1ALOX15CYP3A4TSHR
SCHEMBL8078061 0.77 ALDH1A1 (0.53) TDP1ALDH1A1ALOX15CYP3A4TSHR

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