SCHEMBL13665682

SCHEMBL13665682

COc1cc(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(CSN)[nH]c12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 10/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.32
▸ NFE2L2 Q16236 2/20 0.30
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL13665452 0.91 GCK (0.33) GCK
SCHEMBL13665435 0.88 GCK (0.33) GCK
SCHEMBL13665416 0.85 GCK (0.39) GCKSMN1; SMN2
SCHEMBL13665448 0.83 GCK (0.33) GCK
SCHEMBL13665684 0.82 GCK (0.34) GCKSMN1; SMN2
SCHEMBL1076711 0.80 CHEK2 (0.36) GCK
SCHEMBL1075818 0.79 GCK (0.33) GCK
SCHEMBL1075201 0.79 KDM4E (0.44) GCK
SCHEMBL13665408 0.78 GCK (0.33) GCKNR3C1CYP3A4
SCHEMBL1677193 0.78 XDH (0.44) GCKSMN1; SMN2

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-2009125873-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-15 — — WO disclosed
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