SCHEMBL6280962

SCHEMBL6280962

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.48
MAPK14 Q16539 1/20 0.42
CDC7 O00311 5/20 0.42
DBF4 Q9UBU7 5/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
ALOX5 P09917 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LSS P48449 1/20 0.39
IDO1 P14902 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
SCHEMBL6276579 0.88 PTGS2 (0.63) PTGS2MAPK14CDC7DBF4KDM4E
SCHEMBL6280968 0.85 PTGS2 (0.51) PTGS2MAPK14KDM4ELMNAALOX5
SCHEMBL6286367 0.83 PTGS2 (0.48) PTGS2MAPK14CDC7DBF4KDM4E
SCHEMBL6285570 0.83 MAPK14 (0.54) PTGS2MAPK14CDC7DBF4IDO1
SCHEMBL6502554 0.82 PTGS2 (0.51) PTGS2MAPK14CDC7DBF4KDM4E
SCHEMBL6286370 0.82 MEN1 (0.50) PTGS2MAPK14CDC7DBF4KDM4E
SCHEMBL6285603 0.82 MAPK14 (0.50) PTGS2MAPK14CDC7DBF4KDM4E
SCHEMBL15690382 0.80 PTGS2 (0.50) PTGS2MAPK14CDC7DBF4KDM4E
SCHEMBL6279375 0.80 PTGS2 (0.54) PTGS2MAPK14CDC7DBF4KDM4E
SCHEMBL6600796 0.79 PTGS2 (0.49) PTGS2MAPK14CDC7DBF4KDM4E

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