SCHEMBL7845041

SCHEMBL7845041

CS(=O)(=O)c1ccccc1-c1nc(NC(=O)c2cc(F)cc(F)c2)sc1-c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
KDM4E B2RXH2 3/20 0.48
NPC1 O15118 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ADORA3 P0DMS8 3/20 0.45
ADORA2A P29274 3/20 0.45
ADORA1 P30542 3/20 0.45
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
PTGS2 P35354 3/20 0.42
HPGD P15428 2/20 0.41
MAPT P10636 4/20 0.41
TP53 P04637 1/20 0.41
GCK P35557 1/20 0.41
RAB9A P51151 2/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL7833745 0.93 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2KDM4ENPC1NPSR1
SCHEMBL7842696 0.92 MAPT (0.50) KMT2ASMN1; SMN2KDM4ENPC1NPSR1
SCHEMBL7846524 0.92 KMT2A (0.48) KMT2ASMN1; SMN2KDM4ENPC1NPSR1
SCHEMBL7842483 0.92 SMN1; SMN2 (0.55) KMT2ASMN1; SMN2KDM4ENPC1NPSR1
SCHEMBL7840955 0.92 KMT2A (0.46) KMT2ASMN1; SMN2KDM4ENPC1NPSR1
SCHEMBL7843112 0.89 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2KDM4ENPC1NPSR1
SCHEMBL7841750 0.89 SMN1; SMN2 (0.52) KMT2ASMN1; SMN2KDM4ENPC1NPSR1
SCHEMBL7842273 0.89 SMN1; SMN2 (0.52) KMT2ASMN1; SMN2KDM4ENPC1NPSR1
SCHEMBL7839835 0.88 MAPT (0.48) KMT2ASMN1; SMN2KDM4ENPC1NPSR1
SCHEMBL7842693 0.88 KMT2A (0.50) KMT2ASMN1; SMN2KDM4ENPC1NPSR1

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 4 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
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