SCHEMBL6280968

SCHEMBL6280968

COc1ccc(-c2nc(-c3ccc(C[S+]([O-])Cc4ccc(-c5nc(-c6ccc(OC)cc6)c(-c6ccncc6)s5)cc4)cc3)sc2-c2ccncc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.51
ALOX5 P09917 4/20 0.46
PTGDR2 Q9Y5Y4 5/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MAPK14 Q16539 1/20 0.43
ACHE P22303 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
TGFBR1 P36897 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) PTGS2ALOX5PTGDR2KDM4EALDH1A1
SCHEMBL6280962 0.85 PTGS2 (0.48) PTGS2ALOX5PTGDR2KDM4EALDH1A1
SCHEMBL6276579 0.85 PTGS2 (0.63) PTGS2ALOX5KDM4EMAPK14
SCHEMBL6498802 0.84 PTGS2 (0.52) PTGS2ALOX5PTGDR2KDM4EALDH1A1
SCHEMBL6285570 0.83 MAPK14 (0.54) PTGS2MAPK14
SCHEMBL6285603 0.82 MAPK14 (0.50) PTGS2KDM4EALDH1A1MAPTMAPK14
SCHEMBL6282411 0.81 PTGS2 (0.57) PTGS2ALOX5PTGDR2KDM4EALDH1A1
SCHEMBL11455410 0.80 PTGS2 (0.66) PTGS2ALOX5PTGDR2KDM4EALDH1A1
SCHEMBL7843526 0.80 PTGS2 (0.78) PTGS2ALOX5MAPK14
SCHEMBL6503358 0.80 PTGS2 (0.78) PTGS2ALOX5MAPK14

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