SCHEMBL2660809

SCHEMBL2660809

Cc1ccsc1S(=O)(=O)Nc1ccc(C)c2cc(C(=O)NCC(C#N)SCc3ccccc3)[nH]c12

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 9/20 0.33
MCL1 Q07820 4/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
S1PR4 O95977 1/20 0.30
S1PR5 Q9H228 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
SCHEMBL2660852 0.88 PLA2G7 (0.33) PLA2G7MCL1LMNAPOLBS1PR4
SCHEMBL2659747 0.87 MCL1 (0.31) MCL1
SCHEMBL2661327 0.86 PLA2G7 (0.31) PLA2G7LMNAPOLBS1PR4S1PR5
SCHEMBL2660524 0.82 RAB9A (0.35) MCL1LMNAPOLB
SCHEMBL2660811 0.78 TP53 (0.35) LMNAPOLB
SCHEMBL2660563 0.77 HDAC3 (0.36) PLA2G7
SCHEMBL2659767 0.76 PYGL (0.32) MCL1LMNAPOLB
SCHEMBL2660397 0.76 MCL1 (0.31) MCL1
SCHEMBL2668575 0.76 BCL2A1 (0.41) MCL1LMNAPOLB
SCHEMBL2660519 0.76 HDAC3 (0.35) PLA2G7LMNA

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