SCHEMBL8564866

SCHEMBL8564866

Nc1cc([N+](=O)[O-])c([N+](=O)[O-])cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.41
TDP1 Q9NUW8 5/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX15 P16050 3/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MCL1 Q07820 1/20 0.40
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL5252473 0.85 TDP1 (0.48) EGFRTDP1MAPTALDH1A1LMNA
SCHEMBL474593 0.82 NOS3 (0.52) TDP1MAPTALDH1A1LMNAHTT
SCHEMBL22498154 0.82 ALDH1A1 (0.47) EGFRTDP1MAPTALDH1A1LMNA
SCHEMBL29563051 0.82 ALDH1A1 (0.49) EGFRTDP1MAPTALDH1A1LMNA
SCHEMBL8564092 0.82 MAPK1 (0.47) EGFRTDP1MAPTALDH1A1ALOX15
SCHEMBL4888907 0.82 NOS3 (0.52) EGFRTDP1MAPTALDH1A1LMNA
SCHEMBL8568613 0.82 EGFR (0.39) EGFRTDP1MAPTALDH1A1LMNA
SCHEMBL2914482 0.82 ALDH1A1 (0.47) EGFRTDP1MAPTALDH1A1ALOX15
SCHEMBL16663608 0.82 ALDH1A1 (0.49) EGFRTDP1MAPTALDH1A1LMNA
SCHEMBL29492839 0.82 NOS3 (0.52) TDP1MAPTALDH1A1LMNAHTT

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