SCHEMBL5140929

SCHEMBL5140929

O=[N+]([O-])c1ccc(Sc2ccc(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.70
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
ALDH1A1 P00352 7/20 0.58
MAPK1 P28482 3/20 0.58
GAA P10253 1/20 0.58
PKM P14618 1/20 0.58
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
HPGD P15428 3/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
APP P05067 1/20 0.52
LMNA P02545 4/20 0.50
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL2818369 1.00 MAPT (0.70) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL4163474 0.93 MAPT (0.79) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL3328543 0.93 MAPT (0.79) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL8934655 0.91 MAPT (0.76) MAPTMEN1KMT2AALDH1A1MAPK1
Fluoride SCHEMBL29135589 0.91 MAPT (0.76) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL8934649 0.91 MAPT (0.76) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL943255 0.86 MAPT (0.53) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL28198 0.85 CA1 (0.67) MAPTALDH1A1MAPK1GAACA12
SCHEMBL6423919 0.85 CA1 (0.67) MAPTALDH1A1MAPK1GAACA12
SCHEMBL268150 0.84 MEN1 (0.68) MAPTMEN1KMT2AALDH1A1MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1975192-A1 Resin composition, cured product and optical parts Tokyo Institute of Technology (JP) 2008-10-01 EP disclosed