SCHEMBL7846124

SCHEMBL7846124

CS(=O)(=O)c1ccc(-c2sc(NC(=O)c3ccccc3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.62
SMN1; SMN2 Q16637 6/20 0.60
KMT2A Q03164 5/20 0.60
NPC1 O15118 3/20 0.60
KDM4E B2RXH2 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
HPGD P15428 2/20 0.58
MAPT P10636 3/20 0.57
MEN1 O00255 2/20 0.57
USP2 O75604 2/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
PTGS1 P23219 2/20 0.55
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL7842479 1.00 PTGS2 (0.62) PTGS2SMN1; SMN2KMT2ANPC1KDM4E
SCHEMBL7833741 0.95 PTGS2 (0.61) PTGS2SMN1; SMN2KMT2ANPC1KDM4E
SCHEMBL7846092 0.95 PTGS2 (0.61) PTGS2SMN1; SMN2KMT2ANPC1KDM4E
SCHEMBL7842695 0.91 PTGS2 (0.55) PTGS2SMN1; SMN2KMT2ANPC1KDM4E
SCHEMBL7843314 0.91 PTGS2 (0.55) PTGS2SMN1; SMN2KMT2ANPC1KDM4E
SCHEMBL7847022 0.91 PTGS2 (0.60) PTGS2SMN1; SMN2KMT2ANPC1KDM4E
SCHEMBL7843109 0.91 PTGS2 (0.60) PTGS2SMN1; SMN2KMT2ANPC1KDM4E
SCHEMBL7844500 0.90 PTGS2 (0.56) PTGS2SMN1; SMN2KMT2ANPC1KDM4E
SCHEMBL7842268 0.90 PTGS2 (0.65) PTGS2SMN1; SMN2KMT2ANPC1KDM4E
SCHEMBL7841748 0.90 PTGS2 (0.56) PTGS2SMN1; SMN2KMT2ANPC1KDM4E

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