SCHEMBL2668930

SCHEMBL2668930

COC(OC)C1CN=C(c2cc3cccc(NS(=O)(=O)c4ccccn4)c3n2C)S1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 9/20 0.41
SLC40A1 Q9NP59 6/20 0.41
CGAS Q8N884 1/20 0.38
MMP2 P08253 2/20 0.36
CYP17A1 P05093 1/20 0.35
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL2966007 0.81 GLO1 (0.41) GLO1SLC40A1CGASMMP2CYP17A1
SCHEMBL13531747 0.72 GLO1 (0.39) GLO1SLC40A1CGASMMP2
SCHEMBL2961399 0.68
SCHEMBL3501853 0.66 MMP2 (0.40) GLO1SLC40A1MMP2
SCHEMBL2660723 0.66 MMP2 (0.52) GLO1SLC40A1MMP2CYP17A1
SCHEMBL2660982 0.66 SLC40A1 (0.38) GLO1SLC40A1MMP2
SCHEMBL2660318 0.65 SLC40A1 (0.47) GLO1SLC40A1MMP2CYP17A1
SCHEMBL2660310 0.64 OXTR (0.33)
SCHEMBL2660222 0.63 SLC40A1 (0.41) GLO1SLC40A1MMP2
SCHEMBL2660729 0.63 SLC40A1 (0.47) GLO1SLC40A1MMP2

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-2508524-A2 Indole compound Takeda Pharmaceutical Company Limited (JP) 2012-10-10 EP disclosed
WO-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed