SCHEMBL9359869

SCHEMBL9359869

NC(=O)/C=C\C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
KMT2A Q03164 3/20 0.53
PKM P14618 1/20 0.53
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
HGFAC Q04756 1/20 0.50
TSHR P16473 1/20 0.49
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 2/20 0.44
MGLL Q99685 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL956911 0.91 GAA (0.61) GAAKMT2APKMBCL9CTNNB1
SCHEMBL4661270 0.91 GAA (0.61) GAAKMT2APKMBCL9CTNNB1
SCHEMBL2108301 0.85 GAA (0.54) GAAKMT2APKMBCL9CTNNB1
SCHEMBL4296577 0.85 GAA (0.54) GAAKMT2APKMBCL9CTNNB1
Ammonia Solution, Strong SCHEMBL9436280 0.83 GAA (0.53) GAAKMT2APKMBCL9CTNNB1
SCHEMBL17695797 0.83 GAA (0.57) GAAKMT2APKMBCL9CTNNB1
Ammonia Solution, Strong SCHEMBL9436297 0.83 GAA (0.53) GAAKMT2APKMBCL9CTNNB1
SCHEMBL12858124 0.83 ACHE (0.60) GAAKMT2APKMBCL9CTNNB1
Acrylamide SCHEMBL28309906 0.82 GAA (0.51) GAAKMT2APKMBCL9CTNNB1
SCHEMBL11973529 0.81 GAA (0.58) GAAKMT2APKMBCL9CTNNB1

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-0393713-B1 Process for the preparation of N-substituted maleimides TOSOH CORP (JP) 1994-06-29 EP disclosed
US-5087705-A Heating N-substituted maleamic acid monoester in presence of acid catalyst SHIN-DAIKYOWA PETROCHEMICAL CO., LTD. (JP) 1992-02-11 US disclosed
EP-0393713-A1 Process for the preparation of N-substituted maleimides Tosoh Corporation (JP) 1990-10-24 EP disclosed