SCHEMBL8934655

SCHEMBL8934655

O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1.[Na]

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.76
MEN1 O00255 5/20 0.76
KMT2A Q03164 5/20 0.76
ALDH1A1 P00352 7/20 0.61
MAPK1 P28482 2/20 0.61
GAA P10253 1/20 0.61
PKM P14618 1/20 0.61
HPGD P15428 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 2/20 0.56
ACHE P22303 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA3 P07451 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52

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
SCHEMBL3328543 0.97 MAPT (0.79) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL4163474 0.97 MAPT (0.79) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL8934649 0.95 MAPT (0.76) MAPTMEN1KMT2AALDH1A1MAPK1
Fluoride SCHEMBL29135589 0.95 MAPT (0.76) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL2818369 0.91 MAPT (0.70) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL5140929 0.91 MAPT (0.70) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL268150 0.89 MEN1 (0.68) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL161647 0.87 MAPT (0.66) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL11453922 0.87 MAPT (0.66) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL6577902 0.87 ACHE (0.75) 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
WO-1996030350-A1 AMIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-03 WO disclosed