SCHEMBL6282411

SCHEMBL6282411

COc1ccc(-c2nc(-c3ccc(CS(=O)(=O)Cc4ccc(-c5nc(-c6ccc(OC)cc6)c(-c6ccncc6)s5)cc4)cc3)sc2-c2ccncc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.57
MAPK14 Q16539 1/20 0.48
PTGDR2 Q9Y5Y4 6/20 0.47
ALOX5 P09917 4/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42

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
SCHEMBL7844066 0.87 PTGS2 (0.59) PTGS2MAPK14PTGDR2ALOX5KDM4E
SCHEMBL6280820 0.85 PTGS2 (0.70) PTGS2MAPK14IDO1TDO2
SCHEMBL6279375 0.85 PTGS2 (0.54) PTGS2MAPK14PTGDR2KDM4EALDH1A1
SCHEMBL6503358 0.84 PTGS2 (0.78) PTGS2MAPK14ALOX5
SCHEMBL7843526 0.84 PTGS2 (0.78) PTGS2MAPK14ALOX5
SCHEMBL6280438 0.83 MAPK14 (0.59) PTGS2MAPK14IDO1TDO2CDC7
SCHEMBL6280814 0.82 MAPK14 (0.55) PTGS2MAPK14KDM4EALDH1A1MAPT
SCHEMBL6280968 0.81 PTGS2 (0.51) PTGS2MAPK14PTGDR2ALOX5KDM4E
SCHEMBL11455410 0.80 PTGS2 (0.66) PTGS2PTGDR2ALOX5KDM4EALDH1A1
SCHEMBL6279896 0.79 PTGS2 (0.51) PTGS2MAPK14PTGDR2ALOX5KDM4E

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-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP claimed
US-6962933-B1 Method for inhibiting p38 MAP kinase or TNF-α production using a 1,3-thiazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-08 US disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP disclosed