SCHEMBL7832074

SCHEMBL7832074

Cc1csc(-c2sc(-c3cccs3)nc2-c2ccc(F)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.60
KDM4E B2RXH2 6/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
ATM Q13315 1/20 0.40
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FLT3 P36888 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
SCHEMBL7832752 0.85 PTGS2 (0.57) PTGS2KDM4EMAPK14MAPK13GCGR
SCHEMBL7833305 0.84 PTGS2 (0.41) PTGS2CYP1A2MAPK14MAPK13GCGR
SCHEMBL7845145 0.81 CYP1A1 (0.40) PTGS2KDM4EMAPTMEN1KMT2A
SCHEMBL7844988 0.81 PTGS2 (0.52) PTGS2KDM4EMAPTMEN1KMT2A
SCHEMBL7842651 0.81 PTGS2 (0.59) PTGS2KDM4EMAPTALDH1A1LMNA
SCHEMBL8808327 0.81 KDM4E (0.45) PTGS2KDM4EMAPTKMT2AALDH1A1
SCHEMBL7844067 0.79 PTGS2 (0.45) PTGS2
SCHEMBL7841796 0.79 PTGS2 (0.54) PTGS2MAPK14
SCHEMBL8918780 0.78 PTGS2 (0.45) PTGS2KDM4EMAPTMEN1KMT2A
SCHEMBL7839802 0.78 PTGS2 (0.57) PTGS2MAPTMEN1KMT2AALDH1A1

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-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US 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