SCHEMBL7839282

SCHEMBL7839282

Cc1nc(-c2ccc(F)cc2)c(CCl)s1.Cc1nc(-c2ccc(F)cc2)c(CO)s1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.47
PTGS2 P35354 2/20 0.46
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
THRB P10828 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
SCHEMBL5510284 0.93 PTGS2 (0.51) PTGDR2PTGS2GAAL3MBTL1MEN1
SCHEMBL5516266 0.93 PTGS2 (0.51) PTGDR2PTGS2GAAL3MBTL1MEN1
SCHEMBL792073 0.79 PTGS2 (0.52) PTGDR2PTGS2GAAMEN1KMT2A
SCHEMBL7839943 0.78 TRPM8 (0.55) PTGS2MEN1KMT2A
SCHEMBL11150568 0.77 PTGDR2 (0.43) PTGDR2
SCHEMBL791811 0.75 PTGS2 (0.49) PTGDR2PTGS2GAAMEN1KMT2A
SCHEMBL8188473 0.71 ALDH1A1 (0.61) PTGS2
SCHEMBL29764150 0.68 PTGS2 (0.51) PTGS2
SCHEMBL1340065 0.68 TRPM8 (0.62) PTGS2MEN1KMT2A
SCHEMBL6598899 0.67 PTGDR2 (0.43) PTGDR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1162196-A1 FUSED-RING COMPOUNDS AND USE THEREOF AS DRUGS JAPAN TOBACCO INC. (JP) 2001-12-12 EP disclosed