SCHEMBL4747174

SCHEMBL4747174

Brc1ccc(C#Cc2nccs2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.68
ACACB O00763 3/20 0.48
PDE10A Q9Y233 2/20 0.46
HAO1 Q9UJM8 2/20 0.44
FBP1 P09467 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
MGAM O43451 2/20 0.34
GAA P10253 2/20 0.34
SI P14410 2/20 0.34
MGAM2 Q2M2H8 2/20 0.34
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
ADK P55263 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
NOS1 P29475 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL30278513 0.81 GRM5 (0.68) GRM5ACACBPDE10AHAO1FBP1
SCHEMBL6313587 0.81 GRM5 (0.68) GRM5ACACBPDE10AHAO1FBP1
SCHEMBL6311975 0.81 GRM5 (1.00) GRM5ACACBPDE10AHAO1
SCHEMBL15870993 0.79 GRM5 (0.68) GRM5ACACBPDE10AHAO1FBP1
SCHEMBL10236313 0.77 GRM5 (0.62) GRM5ACACBPDE10AHAO1
SCHEMBL702812 0.77 GRM5 (0.62) GRM5ACACBPDE10AHAO1FBP1
SCHEMBL20015760 0.72 CYP2A6 (0.57) ACACBMEN1KMT2AADKALDH1A1
SCHEMBL1246271 0.72 CYP2A6 (0.57) ACACBMEN1KMT2AADKALDH1A1
SCHEMBL4854409 0.71 GRM5 (0.69) GRM5
SCHEMBL13218217 0.69 GRM5 (0.51) GRM5ACACBPDE10AHAO1MEN1

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
WO-2008125599-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-23 WO disclosed