SCHEMBL7842452

SCHEMBL7842452

CS(=O)(=O)c1ccc(-c2sc(NC(=O)c3cccc(Cl)c3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
PTGS2 P35354 15/20 0.55
PTGS1 P23219 2/20 0.49
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
USP2 O75604 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL7842692 1.00 KMT2A (0.60) KMT2AMEN1PTGS2PTGS1MAPT
SCHEMBL7843314 0.91 PTGS2 (0.55) KMT2AMEN1PTGS2PTGS1MAPT
SCHEMBL7842695 0.91 PTGS2 (0.55) KMT2AMEN1PTGS2PTGS1MAPT
SCHEMBL7839881 0.91 PTGS2 (0.58) KMT2AMEN1PTGS2PTGS1USP2
SCHEMBL7840951 0.91 PTGS2 (0.58) KMT2AMEN1PTGS2PTGS1USP2
SCHEMBL7846003 0.91 PTGS1 (0.52) KMT2AMEN1PTGS2PTGS1MAPT
SCHEMBL7842893 0.91 PTGS1 (0.52) KMT2AMEN1PTGS2PTGS1MAPT
SCHEMBL7839831 0.89 PTGS2 (0.53) PTGS2PTGS1MAPTLMNAUSP2
SCHEMBL7832235 0.89 PTGS2 (0.53) PTGS2PTGS1MAPTLMNAUSP2
SCHEMBL7842268 0.88 PTGS2 (0.65) KMT2AMEN1PTGS2PTGS1MAPT

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