SCHEMBL2659937

SCHEMBL2659937

COCCCOc1cc(NS(=O)(=O)c2ncccc2C)c2[nH]c(C(=O)NCC(CN3CCSCC3)SCc3ccccc3)cc2c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.33
ITGA2B P08514 5/20 0.33
LMNA P02545 3/20 0.32
TP53 P04637 3/20 0.32
THRB P10828 2/20 0.32
MAPT P10636 2/20 0.31
ITGAV P06756 1/20 0.31
P2RY12 Q9H244 1/20 0.30
DRD2 P14416 2/20 0.30
DRD3 P35462 2/20 0.30
DRD4 P21917 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
SCHEMBL2660035 0.94 ITGB3 (0.33) ITGB3ITGA2BLMNATP53THRB
SCHEMBL2661566 0.89 ITGB3 (0.33) ITGB3ITGA2BLMNATP53THRB
SCHEMBL2660001 0.89 ITGB3 (0.34) ITGB3ITGA2BLMNATP53THRB
SCHEMBL2659662 0.88 ITGB3 (0.32) ITGB3ITGA2BLMNATP53THRB
SCHEMBL2661196 0.88 LMNA (0.38) LMNATP53THRBMAPT
SCHEMBL2660656 0.88 LMNA (0.33) ITGB3ITGA2BLMNATP53THRB
SCHEMBL2660508 0.87 SYK (0.33) ITGB3ITGA2BLMNATP53THRB
SCHEMBL2659492 0.87 ITGB3 (0.33) ITGB3ITGA2BLMNATP53THRB
SCHEMBL2659562 0.87 DRD2 (0.33) ITGB3ITGA2BLMNATP53THRB
SCHEMBL13203967 0.83 DRD3 (0.34) ITGB3ITGA2BMAPTITGAVDRD2

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-2074119-A1 INDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed