SCHEMBL8600832

SCHEMBL8600832

C=CCNS(=O)(=O)c1ncccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
RAB9A P51151 2/20 0.51
PAX8 Q06710 1/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HTT P42858 1/20 0.48
HIF1A Q16665 1/20 0.40
PDE10A Q9Y233 1/20 0.40
MDM4 O15151 1/20 0.40
NFKBIA P25963 1/20 0.40
OPRK1 P41145 1/20 0.40
MDM2 Q00987 1/20 0.40
RELA Q04206 1/20 0.40
SLC40A1 Q9NP59 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL8599984 0.79 MEN1 (0.55) MEN1KMT2ARAB9APAX8MAPT
SCHEMBL8567910 0.78 RAB9A (0.58) MEN1KMT2ARAB9APAX8MAPT
SCHEMBL8597357 0.78 ALDH1A1 (0.39) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL8600198 0.77 MAPT (0.58) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL357662 0.77 CYP19A1 (0.59) MEN1KMT2AALDH1A1HTT
SCHEMBL11107368 0.77 MEN1 (0.59) MEN1KMT2ARAB9APAX8MAPT
SCHEMBL28332934 0.77 MEN1 (0.59) MEN1KMT2ARAB9APAX8MAPT
SCHEMBL8595936 0.76 PAX8 (0.50) MEN1KMT2ARAB9APAX8MAPT
SCHEMBL8599491 0.76 HIF1A (0.39) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL8630082 0.76 MEN1 (0.51) MEN1KMT2ARAB9APAX8MAPT

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