SCHEMBL7842353

SCHEMBL7842353

CS(=O)(=O)c1ccccc1-c1nc(C(=O)Nc2ccccc2)sc1-c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MAPT P10636 3/20 0.48
ATR Q13535 1/20 0.46
PTGS2 P35354 11/20 0.45
BCAT2 O15382 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL7841016 0.97 PTGS2 (0.46) NPC1RAB9AMAPTATRPTGS2
SCHEMBL7841896 0.93 MAPT (0.46) NPC1RAB9AMAPTATRPTGS2
SCHEMBL7842512 0.92 ESRRG (0.48) NPC1RAB9AMAPTATRPTGS2
SCHEMBL7842757 0.92 PTGS2 (0.46) NPC1RAB9AMAPTPTGS2KDM4E
SCHEMBL7845840 0.92 NPSR1 (0.45) NPC1RAB9AMAPTATRPTGS2
SCHEMBL7842019 0.92 ATR (0.46) NPC1RAB9AMAPTATRPTGS2
SCHEMBL7844202 0.90 L3MBTL1 (0.44) NPC1RAB9AMAPTPTGS2SMN1; SMN2
SCHEMBL7845585 0.90 GRM5 (0.43) NPC1RAB9AMAPTATRPTGS2
SCHEMBL7832325 0.89 PTGS2 (0.45) MAPTPTGS2SMN1; SMN2KDM4EMEN1
SCHEMBL7846162 0.88 PTGS2 (0.46) NPC1RAB9AMAPTATRPTGS2

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