SCHEMBL6276579

SCHEMBL6276579

[O-][S+](Cc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)s2)cc1)Cc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)s2)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.63
MAPK14 Q16539 2/20 0.42
CDC7 O00311 2/20 0.42
DBF4 Q9UBU7 2/20 0.42
KDM4E B2RXH2 1/20 0.42
AR P10275 1/20 0.42
MAPK10 P53779 1/20 0.40
ALOX5 P09917 2/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL6280962 0.88 PTGS2 (0.48) PTGS2MAPK14CDC7DBF4KDM4E
SCHEMBL6280968 0.85 PTGS2 (0.51) PTGS2MAPK14KDM4EALOX5
SCHEMBL6276676 0.83 PTGS2 (0.64) PTGS2MAPK14CDC7DBF4KDM4E
SCHEMBL6285570 0.83 MAPK14 (0.54) PTGS2MAPK14CDC7DBF4
SCHEMBL6501123 0.82 PTGS2 (0.67) PTGS2MAPK14CDC7DBF4KDM4E
SCHEMBL6276678 0.82 PTGS2 (0.62) PTGS2MAPK14KDM4EARMAPK10
SCHEMBL6285603 0.82 MAPK14 (0.50) PTGS2MAPK14CDC7DBF4KDM4E
SCHEMBL6282345 0.81 PTGS2 (0.68) PTGS2MAPK14CDC7DBF4MAPK10
SCHEMBL19864308 0.80 PTGS2 (0.63) PTGS2MAPK14KDM4EARMAPK10
SCHEMBL19864303 0.80 PTGS2 (0.63) PTGS2MAPK14KDM4EARMAPK10

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