SCHEMBL8918644

SCHEMBL8918644

CS(=O)(=O)c1ccccc1-c1sc(COc2ccc(Cl)cc2Cl)nc1-c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.49
PTGS1 P23219 3/20 0.49
PPARD Q03181 6/20 0.46
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGER1 P34995 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL7846685 0.93 PTGS2 (0.51) PTGS2PTGS1PPARDALOX5
SCHEMBL7833513 0.88 PTGS2 (0.53) PTGS2PTGS1PPARDKMT2ANPC1
SCHEMBL7843634 0.87 PTGS2 (0.55) PTGS2PTGS1PPARDKMT2ARAB9A
SCHEMBL6246548 0.87 PTGS2 (0.65) PTGS2PTGS1PPARDALOX5
SCHEMBL8918631 0.85 PTGS2 (0.62) PTGS2PTGS1PPARD
SCHEMBL7841302 0.85 PTGS2 (0.51) PTGS2PTGS1PPARDKMT2ANPC1
SCHEMBL7843072 0.84 PTGS2 (0.52) PTGS2PTGS1PPARDALOX5
SCHEMBL7844271 0.84 PTGS2 (0.53) PTGS2PTGS1PPARDKMT2ANPC1
SCHEMBL7846132 0.82 PTGS2 (0.53) PTGS2PTGS1ALOX5
SCHEMBL7833526 0.82 PTGS2 (0.48) PTGS2PTGS1PPARDALOX5

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
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US claimed