SCHEMBL7839879

SCHEMBL7839879

Cc1csc(-c2nc(C(F)(F)F)sc2-c2ccc(F)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.54
PTGS1 P23219 2/20 0.54
HIPK4 Q8NE63 1/20 0.38
APP P05067 1/20 0.35
MAPK14 Q16539 3/20 0.33
ABL1 P00519 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7845812 0.90 PTGS2 (0.54) PTGS2PTGS1HIPK4APPMAPK14
SCHEMBL7833395 0.84 PTGS2 (0.52) PTGS2PTGS1APPMAPK14KDM4E
SCHEMBL7844733 0.80 PTGS2 (0.54) PTGS2PTGS1APPMAPK14ABL1
SCHEMBL11565385 0.79 PTGS2 (0.74) PTGS2PTGS1KDM4ELMNAMAPT
SCHEMBL7090773 0.73 BRAF (0.48) MAPK14KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL7844988 0.73 PTGS2 (0.52) PTGS2PTGS1APPMAPK14KDM4E
SCHEMBL7845809 0.72 PTGS2 (0.64) PTGS2PTGS1MAPK14
SCHEMBL7839874 0.72 PTGS2 (0.64) PTGS2PTGS1MAPK14
SCHEMBL8297008 0.70 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL214771 0.70 PTGS2 (1.00) PTGS2PTGS1

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