SCHEMBL8600916

SCHEMBL8600916

C=CCSc1ncccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
MAPT P10636 5/20 0.52
ALDH1A1 P00352 5/20 0.52
HTT P42858 1/20 0.52
POLB P06746 2/20 0.51
MAPK1 P28482 1/20 0.51
PDE10A Q9Y233 1/20 0.47
GAA P10253 2/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
LMNA P02545 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
NCOA1 Q15788 1/20 0.40

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
SCHEMBL70297 0.80 MEN1 (0.61) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL29627490 0.80 MEN1 (0.61) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL13437361 0.80 MEN1 (0.66) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL13596619 0.78 SMN1; SMN2 (0.58) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL31676628 0.78 SMN1; SMN2 (0.58) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL6967207 0.77 MEN1 (0.58) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL29938229 0.77 MEN1 (0.58) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL1763611 0.77 MEN1 (0.58) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL4957032 0.77 MEN1 (0.62) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL29779852 0.77 MEN1 (0.62) MEN1KMT2AMAPTALDH1A1HTT

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