SCHEMBL2660472

SCHEMBL2660472

Cc1ccsc1S(=O)(=O)Nc1ccc(C)c2cc(C(=O)NCC(C=NO)SCc3ccccc3)[nH]c12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 3/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
MCL1 Q07820 2/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 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 0.93 PLA2G7 (0.33) PLA2G7MEN1MAPTKMT2AMCL1
SCHEMBL2660397 0.89 MCL1 (0.31) MCL1
SCHEMBL2660809 0.87 PLA2G7 (0.33) PLA2G7MCL1LMNAPOLB
SCHEMBL2661327 0.85 PLA2G7 (0.31) PLA2G7MEN1KMT2ALMNAPOLB
SCHEMBL2659767 0.82 PYGL (0.32) MEN1MAPTKMT2AMCL1LMNA
SCHEMBL2660563 0.82 HDAC3 (0.36) PLA2G7MAPT
SCHEMBL2660524 0.81 RAB9A (0.35) MEN1MAPTKMT2AMCL1LMNA
SCHEMBL2977084 0.79 TP53 (0.34) MEN1MAPTKMT2ALMNAPOLB
SCHEMBL2659747 0.77 MCL1 (0.31) MCL1
SCHEMBL2659987 0.76 LGALS8 (0.33) KMT2AMCL1

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