SCHEMBL2659404

SCHEMBL2659404

COCCOc1cc(NS(=O)(=O)c2ncccc2C)c2[nH]c(C(=O)NCC(C)(CN3CCSCC3)SCc3ccccc3)cc2c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
TP53 P04637 3/20 0.33
THRB P10828 2/20 0.33
MAPT P10636 2/20 0.32
DRD2 P14416 6/20 0.31
DRD3 P35462 6/20 0.31
DRD4 P21917 2/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 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
SCHEMBL2660175 0.86 MAPT (0.35) LMNATP53THRBMAPT
SCHEMBL2660335 0.84 MAPT (0.34) LMNATP53THRBMAPTITGB3
SCHEMBL2660662 0.84 MAPT (0.34) LMNATP53THRBMAPTITGB3
SCHEMBL2659937 0.83 ITGB3 (0.33) LMNATP53THRBMAPTDRD2
SCHEMBL2659406 0.82 MAPT (0.32) LMNATP53THRBMAPTDRD2
SCHEMBL2660035 0.79 ITGB3 (0.33) LMNATP53THRBMAPTITGB3
SCHEMBL2660116 0.78 MAPT (0.41) LMNATP53THRBMAPT
SCHEMBL2661032 0.78 MAPT (0.35) LMNATP53THRBMAPTITGB3
SCHEMBL2659522 0.78 SLC40A1 (0.38) LMNATP53THRBMAPT
SCHEMBL2661566 0.78 ITGB3 (0.33) LMNATP53THRBMAPTDRD2

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