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SCHEMBL2660656

SCHEMBL2660656

COCCOc1cc(NS(=O)(=O)c2ncccc2CC2CC2)c2[nH]c(C(=O)NCC(CN3CCSCC3)SCc3ccccc3)cc2c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.33
▸ TP53 P04637 3/20 0.33
▸ THRB P10828 1/20 0.33
▸ ITGB3 P05106 6/20 0.32
▸ ITGA2B P08514 6/20 0.32
▸ ITGAV P06756 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
SCHEMBL2659662 0.92 ITGB3 (0.32) LMNATP53THRBITGB3ITGA2B
SCHEMBL2661566 0.91 ITGB3 (0.33) LMNATP53THRBITGB3ITGA2B
SCHEMBL2660001 0.88 ITGB3 (0.34) LMNATP53THRBITGB3ITGA2B
SCHEMBL2659937 0.88 ITGB3 (0.33) LMNATP53THRBITGB3ITGA2B
SCHEMBL2660035 0.85 ITGB3 (0.33) LMNATP53THRBITGB3ITGA2B
SCHEMBL2660657 0.81 ITGB3 (0.31) LMNATP53ITGB3ITGA2BITGAV
SCHEMBL2660810 0.81 ITGB3 (0.34) LMNATP53THRBITGB3ITGA2B
SCHEMBL2660815 0.81 ITGB3 (0.35) LMNATP53THRBITGB3ITGA2B
SCHEMBL2659893 0.80 SLC40A1 (0.35) LMNATP53THRBITGB3ITGA2B
SCHEMBL2661568 0.80 ITGB3 (0.32) ITGB3ITGA2BITGAV

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