SCHEMBL2668804

SCHEMBL2668804

CS(=O)(=O)CCCOc1cc(NS(=O)(=O)c2ccccn2)c2[nH]c(C(=O)NCC(C=O)SCc3ccccc3)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LGALS8 O00214 1/20 0.35
ITGB3 P05106 9/20 0.35
ITGA2B P08514 8/20 0.35
GLO1 Q04760 2/20 0.34
MAPT P10636 2/20 0.34
SLC40A1 Q9NP59 1/20 0.33
ITGAV P06756 3/20 0.33
ITGB5 P18084 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
METAP2 P50579 1/20 0.33
MMP2 P08253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
FFAR1 O14842 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
SCHEMBL2660363 0.93 GLO1 (0.36) LGALS8ITGB3ITGA2BGLO1MAPT
SCHEMBL2660667 0.90 MAPT (0.35) ITGB3ITGA2BMAPTSLC40A1ITGAV
SCHEMBL2660669 0.87 MAPT (0.34) LGALS8ITGB3ITGA2BMAPTITGAV
SCHEMBL2668802 0.86 ITGB3 (0.33) LGALS8ITGB3ITGA2BMAPTITGAV
SCHEMBL2668612 0.86 ITGB3 (0.33) LGALS8ITGB3ITGA2BITGAV
SCHEMBL2660450 0.83 GLO1 (0.35) LGALS8ITGB3ITGA2BGLO1MAPT
SCHEMBL13360111 0.83 GLO1 (0.34) LGALS8ITGB3ITGA2BGLO1MAPT
SCHEMBL2658758 0.81 MAPT (0.33) ITGB3ITGA2BMAPTSLC40A1ITGAV
SCHEMBL13221826 0.80 MAPT (0.34) LGALS8ITGB3ITGA2BMAPTITGAV
SCHEMBL13222226 0.80 ITGB3 (0.33) LGALS8ITGB3ITGA2BITGAV

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-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed