SCHEMBL7846616

SCHEMBL7846616

COc1ccc(-c2sc(-c3csc(C)n3)nc2-c2ccccc2S(C)(=O)=O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.49
PTGS1 P23219 5/20 0.45
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SCN9A Q15858 2/20 0.40
MAPT P10636 1/20 0.39
PTGES O14684 1/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
GFER P55789 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36

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
SCHEMBL7846615 0.85 PTGS2 (0.55) PTGS2PTGS1MEN1NPC1ALDH1A1
SCHEMBL7841925 0.83 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL7841911 0.79 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7840385 0.76 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL7844794 0.74 PTGS2 (0.57) PTGS2PTGS1MEN1NPC1ALDH1A1
SCHEMBL7841923 0.72 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL13367649 0.72 ALDH1A1 (0.74) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL7833314 0.72 PTGS2 (0.59) PTGS2PTGS1ALDH1A1
SCHEMBL7840379 0.70 PTGS2 (0.84) PTGS2PTGS1
SCHEMBL5698728 0.69 PTGS2 (0.74) PTGS2PTGS1

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-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed