SCHEMBL8796756

SCHEMBL8796756

C[S+]([O-])c1ccc(-c2sc(-c3ccccc3Cl)nc2-c2ccsc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.70
PTGS1 P23219 2/20 0.47
ALDH1A1 P00352 3/20 0.36
RXFP1 Q9HBX9 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
MEN1 O00255 1/20 0.33
PPARG P37231 1/20 0.33
KMT2A Q03164 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
NPY5R Q15761 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FABP4 P15090 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 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
SCHEMBL8796668 0.87 PTGS2 (0.57) PTGS2PTGS1ALDH1A1RXFP1KDM4E
SCHEMBL7832505 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7846617 0.82 PTGS2 (0.70) PTGS2PTGS1ALDH1A1RXFP1KDM4E
SCHEMBL7841787 0.80 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL7845601 0.76 PTGS2 (0.77) PTGS2PTGS1ALDH1A1RXFP1KDM4E
SCHEMBL7846621 0.75 PTGS2 (0.60) PTGS2PTGS1ALDH1A1RXFP1KDM4E
SCHEMBL11452546 0.73 PTGS2 (0.73) PTGS2PTGS1ALDH1A1RXFP1KDM4E
SCHEMBL6502554 0.70 PTGS2 (0.51) PTGS2PTGS1ALDH1A1KDM4ECDC7
SCHEMBL5698703 0.69 PTGS2 (1.00) PTGS2PTGS1ALDH1A1RXFP1KDM4E
SCHEMBL7843084 0.69 PTGS2 (0.85) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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