SCHEMBL2668802

SCHEMBL2668802

CS(=O)(=O)CCCOc1cc(NS(=O)(=O)c2ccccn2)c2[nH]c(C(=O)NCC(CN3CCOCC3)SCc3ccccc3)cc2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.33
ITGA2B P08514 6/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
SYK P43405 6/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
JAK2 O60674 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ITGAV P06756 1/20 0.31
LGALS8 O00214 1/20 0.31
MCL1 Q07820 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL2668612 0.92 ITGB3 (0.33) ITGB3ITGA2BITGAVLGALS8
SCHEMBL2660508 0.92 SYK (0.33) ITGB3ITGA2BMAPTLMNATP53
SCHEMBL2659399 0.88 SYK (0.32) ITGB3ITGA2BMAPTLMNATP53
SCHEMBL13222226 0.87 ITGB3 (0.33) ITGB3ITGA2BITGAVLGALS8
SCHEMBL2668804 0.86 LGALS8 (0.35) ITGB3ITGA2BMAPTLMNATP53
SCHEMBL2660001 0.86 ITGB3 (0.34) ITGB3ITGA2BMAPTLMNATP53
SCHEMBL13221707 0.86 ITGB3 (0.33) ITGB3ITGA2BITGAVLGALS8
SCHEMBL2660810 0.85 ITGB3 (0.34) ITGB3ITGA2BMAPTLMNATP53
SCHEMBL2660815 0.85 ITGB3 (0.35) ITGB3ITGA2BMAPTLMNATP53
SCHEMBL2660035 0.85 ITGB3 (0.33) ITGB3ITGA2BMAPTLMNATP53

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