SCHEMBL8918780

SCHEMBL8918780

Cc1csc(-c2sc(CS(=O)(=O)c3cccs3)nc2-c2ccc(F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.45
PTGS1 P23219 2/20 0.41
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
MAPK14 Q16539 2/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
DHODH Q02127 1/20 0.34

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
SCHEMBL7843536 0.81 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL8918758 0.80 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL7843538 0.79 PTGS2 (0.48) PTGS2PTGS1CDK5CDK5R1
SCHEMBL7839858 0.79 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL7841796 0.79 PTGS2 (0.54) PTGS2PTGS1MAPK14
SCHEMBL7832074 0.78 PTGS2 (0.60) PTGS2MAPK14KDM4EMEN1KMT2A
SCHEMBL7839802 0.77 PTGS2 (0.57) PTGS2PTGS1MAPK14MEN1KMT2A
SCHEMBL7847056 0.76 PTGDR2 (0.48) PTGS2PTGS1MAPK14LMNA
SCHEMBL7833920 0.76 PTGS2 (0.58) PTGS2PTGS1MAPK14ALDH1A1HPGD
SCHEMBL7843106 0.75 PTGS2 (0.57) PTGS2PTGS1MAPK14KDM4EMEN1

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 disclosed