SCHEMBL6936643

SCHEMBL6936643

COC(=O)c1ccc(Sc2cccc(OC)c2)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
HTT P42858 2/20 0.56
GAA P10253 1/20 0.54
HPGD P15428 3/20 0.53
LMNA P02545 1/20 0.53
FBP1 P09467 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
PDE7A Q13946 1/20 0.48
VCAM1 P19320 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
SCHEMBL7989054 0.89 MAPT (0.60) MAPTHTTGAAHPGDLMNA
SCHEMBL6936618 0.87 MAPT (0.57) MAPTHTTGAAHPGDLMNA
SCHEMBL1454112 0.87 HPGD (0.59) MAPTHTTGAAHPGDLMNA
SCHEMBL17080181 0.82 HPGD (0.57) MAPTHTTHPGDLMNAPOLB
SCHEMBL15227352 0.81 PDE7A (0.61) MAPTHTTGAAHPGDLMNA
SCHEMBL17080117 0.81 HPGD (0.56) MAPTHTTHPGDLMNAPOLB
SCHEMBL810774 0.81 ALDH1A1 (0.59) MAPTHTTGAAHPGDLMNA
SCHEMBL1455665 0.80 PDE7A (0.59) MAPTHTTGAAHPGDLMNA
SCHEMBL4810894 0.78 SMN1; SMN2 (0.57) MAPTHTTHPGDLMNAPOLB
SCHEMBL5917877 0.78 HPGD (0.66) MAPTHTTHPGDLMNAPOLB

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-1086079-B1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA A S (CZ) 2003-05-07 EP disclosed