SCHEMBL11039850

SCHEMBL11039850

FC(F)C(F)(F)Sc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.41
▸ PTGS1 P23219 3/20 0.41
▸ MAPT P10636 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ACHE P22303 5/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MYC P01106 1/20 0.33
▸ WDR5 P61964 1/20 0.33
▸ PPARD Q03181 2/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL11043419 0.86 ALDH1A1 (0.45) PTGS2PTGS1MAPTNPSR1ALDH1A1
SCHEMBL11040285 0.84 ALDH1A1 (0.48) PTGS2MAPTALDH1A1PPARDKDM4E
SCHEMBL11037282 0.76 ALOX5 (0.41) PTGS2MAPTALDH1A1PPARDALOX5
SCHEMBL11040057 0.74 PTGS2 (0.48) PTGS2PTGS1MAPTNPSR1L3MBTL1
SCHEMBL11043713 0.73 ADORA2A (0.36) MAPTL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL11563598 0.71 PTGS2 (0.56) PTGS2PTGS1MAPTNPSR1L3MBTL1
SCHEMBL11284673 0.71 PTGS2 (0.45) PTGS2PTGS1MAPTNPSR1ACHE
SCHEMBL11747669 0.70 PPARA (0.56) PTGS2PTGS1PPARDPTGDR2KDM4E
SCHEMBL11041686 0.70 HRH3 (0.43) PTGS2PTGS1ACHEPPARDALOX5
SCHEMBL11288708 0.70 HTT (0.44) PTGS2PTGS1MAPTNPSR1ACHE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4451471-A Certain 2,4,5-tri-substituted thiazoles, pharmaceutical compositions containing same and methods of using same CIBA-GEIGY CORPORATION (US) 1984-05-29 — — US disclosed
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