SCHEMBL7841896

SCHEMBL7841896

Cc1ccc(NC(=O)c2nc(-c3ccccc3S(C)(=O)=O)c(-c3ccc(F)cc3)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
PTGS2 P35354 6/20 0.46
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
F10 P00742 3/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
ATR Q13535 1/20 0.40
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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 0.96 PTGS2 (0.46) MAPTTP53PTGS2NPC1RAB9A
SCHEMBL7842353 0.93 NPC1 (0.48) MAPTTP53PTGS2NPC1RAB9A
SCHEMBL7833108 0.92 MAPT (0.46) MAPTTP53PTGS2NPC1RAB9A
SCHEMBL7842757 0.91 PTGS2 (0.46) MAPTPTGS2NPC1RAB9AF10
SCHEMBL7845840 0.89 NPSR1 (0.45) MAPTTP53PTGS2NPC1RAB9A
SCHEMBL7846162 0.88 PTGS2 (0.46) MAPTTP53PTGS2NPC1RAB9A
SCHEMBL7842512 0.87 ESRRG (0.48) MAPTTP53PTGS2NPC1RAB9A
SCHEMBL7832325 0.87 PTGS2 (0.45) MAPTTP53PTGS2F10KMT2A
SCHEMBL7841025 0.86 PTGS2 (0.47) PTGS2NPC1RAB9AKMT2AMEN1
SCHEMBL7832889 0.86 MAPT (0.47) MAPTTP53PTGS2KMT2AMEN1

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