SCHEMBL7844142

SCHEMBL7844142

NS(=O)(=O)c1ccc(-c2sc(C(=O)NCc3cccc(Cl)c3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.53
PTGS1 P23219 6/20 0.53
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
MAOB P27338 2/20 0.50
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.44
TP53 P04637 2/20 0.44
MDM2 Q00987 1/20 0.44
CNR1 P21554 1/20 0.44
POLB P06746 1/20 0.42

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
SCHEMBL7843885 1.00 PTGS2 (0.53) PTGS2PTGS1CA1CA2MAOB
SCHEMBL7844643 0.92 PTGS2 (0.58) PTGS2PTGS1CA1CA2MAOB
SCHEMBL7842378 0.92 PTGS2 (0.58) PTGS2PTGS1CA1CA2MAOB
SCHEMBL7845269 0.92 MAOB (0.52) PTGS2PTGS1CA1CA2MAOB
SCHEMBL7841669 0.92 MAOB (0.52) PTGS2PTGS1CA1CA2MAOB
SCHEMBL7843264 0.91 PTGS2 (0.56) PTGS2PTGS1MAOB
SCHEMBL7844808 0.91 PTGS2 (0.56) PTGS2PTGS1MAOB
SCHEMBL7846026 0.89 PTGS2 (0.49) PTGS2PTGS1CA1CA2MAOB
SCHEMBL7843488 0.89 PTGS2 (0.49) PTGS2PTGS1CA1CA2MAOB
SCHEMBL7845271 0.89 PTGS2 (0.53) PTGS2PTGS1CA1CA2MAOB

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-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