SCHEMBL2666084

SCHEMBL2666084

Cc1cncc(/C=C(/C(=O)Nc2nccs2)c2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 13/20 0.66
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTPN1 P18031 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN11 Q06124 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
AKR1C3 P42330 1/20 0.42
POLB P06746 1/20 0.42
PPIA P62937 1/20 0.41

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
SCHEMBL2651705 0.86 GCK (0.71) GCKNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL2651710 0.86 GCK (0.71) GCKNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL2649861 0.82 GCK (0.70) GCKNPC1RAB9ASMN1; SMN2PTPN1
SCHEMBL2649863 0.82 GCK (0.70) GCKNPC1RAB9ASMN1; SMN2PTPN1
SCHEMBL27627558 0.82 GCK (0.64) GCKNPC1RAB9ASMN1; SMN2PTPN1
SCHEMBL3389108 0.81 GCK (0.76) GCKNPC1RAB9ASMN1; SMN2POLB
SCHEMBL2666082 0.81 GCK (0.76) GCKNPC1RAB9ASMN1; SMN2POLB
SCHEMBL2651739 0.81 GCK (0.76) GCKPOLB
SCHEMBL2651742 0.81 GCK (0.76) GCKPOLB
SCHEMBL2652461 0.81 GCK (0.72) GCKNPC1RAB9ASMN1; SMN2POLB

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-2004072031-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS PROSIDION LIMITED (GB) 2004-08-26 WO disclosed