SCHEMBL7843112

SCHEMBL7843112

Cc1ccc(C(=O)Nc2nc(-c3ccccc3S(C)(=O)=O)c(-c3ccc(F)cc3)s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.53
KDM4E B2RXH2 6/20 0.53
KMT2A Q03164 6/20 0.53
NPC1 O15118 5/20 0.53
NPSR1 Q6W5P4 4/20 0.53
RXFP1 Q9HBX9 2/20 0.53
ADORA3 P0DMS8 5/20 0.50
ADORA1 P30542 4/20 0.50
ADORA2A P29274 3/20 0.50
MAPT P10636 5/20 0.48
ALOX5 P09917 1/20 0.46
RAB9A P51151 4/20 0.45
NFKB1 P19838 1/20 0.45
HTT P42858 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
HPGD P15428 3/20 0.45
USP2 O75604 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 3/20 0.44

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 0.96 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EKMT2ANPC1NPSR1
SCHEMBL7842483 0.93 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EKMT2ANPC1NPSR1
SCHEMBL7847026 0.92 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EKMT2ANPC1NPSR1
SCHEMBL7841750 0.91 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EKMT2ANPC1NPSR1
SCHEMBL7842273 0.91 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EKMT2ANPC1NPSR1
SCHEMBL7845041 0.89 KMT2A (0.48) SMN1; SMN2KDM4EKMT2ANPC1NPSR1
SCHEMBL7846096 0.88 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EKMT2ANPC1NPSR1
SCHEMBL7842696 0.88 MAPT (0.50) SMN1; SMN2KDM4EKMT2ANPC1NPSR1
SCHEMBL7840955 0.87 KMT2A (0.46) SMN1; SMN2KDM4EKMT2ANPC1NPSR1
SCHEMBL7839835 0.85 MAPT (0.48) SMN1; SMN2KDM4EKMT2ANPC1NPSR1

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