SCHEMBL6936618

SCHEMBL6936618

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
HTT P42858 2/20 0.57
GAA P10253 1/20 0.55
HPGD P15428 2/20 0.54
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PDE7A Q13946 1/20 0.49
VCAM1 P19320 1/20 0.49

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
SCHEMBL6936643 0.87 MAPT (0.56) MAPTHTTGAAHPGDLMNA
SCHEMBL810774 0.86 ALDH1A1 (0.59) MAPTHTTGAAHPGDLMNA
SCHEMBL6936141 0.85 MAPT (0.62) MAPTHTTGAAHPGDLMNA
SCHEMBL6936135 0.85 MAPT (0.62) MAPTHTTGAAHPGDLMNA
SCHEMBL15227352 0.82 PDE7A (0.61) MAPTHTTGAAHPGDLMNA
SCHEMBL1454112 0.81 HPGD (0.59) MAPTHTTGAAHPGDLMNA
SCHEMBL1455665 0.81 PDE7A (0.59) MAPTHTTGAAHPGDLMNA
SCHEMBL810413 0.80 MAPT (0.53) MAPTHTTGAAHPGDLMNA
SCHEMBL5917877 0.79 HPGD (0.66) MAPTHTTHPGDLMNAPOLB
SCHEMBL1454878 0.78 MAPT (0.56) MAPTHTTGAAHPGDLMNA

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 4 patents. 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
US-6303612-B1 USED AS ANTIINFLAMMATORY AND/OR ANTIASTHMATIC AGENTS LECIVA, A.S. (CZ) 2001-10-16 US disclosed
EP-1086079-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS Leciva, A.S. (CZ) 2001-03-28 EP disclosed
WO-1999067208-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA, A.S. (CZ) 1999-12-29 WO disclosed