SCHEMBL2659696

SCHEMBL2659696

Cc1ccsc1S(=O)(=O)Nc1cccc2cc(C(=O)NCC(C)(C=O)SCc3ccccc3)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.37
PLCG2 P16885 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
PLA2G7 Q13093 5/20 0.34
MCL1 Q07820 2/20 0.34
MAPT P10636 2/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL2659077 0.93 NSD2 (0.33) NSD2PLCG2HDAC3HDAC1PLA2G7
SCHEMBL2659227 0.89 NSD2 (0.35) NSD2PLCG2HDAC3HDAC1PLA2G7
SCHEMBL2659093 0.88 NSD2 (0.36) NSD2PLCG2HDAC3HDAC1PLA2G7
SCHEMBL2659972 0.87 MCL1 (0.33) NSD2PLCG2HDAC3HDAC1PLA2G7
SCHEMBL2660563 0.85 HDAC3 (0.36) NSD2PLCG2HDAC3HDAC1PLA2G7
SCHEMBL2659423 0.84 HRH4 (0.32) NSD2PLCG2HDAC3HDAC1MAPT
SCHEMBL2660564 0.84 KDM4E (0.37) MAPTMAPK1
SCHEMBL2661515 0.81 MAPK8 (0.33) MAPT
SCHEMBL2660519 0.80 HDAC3 (0.35) NSD2PLCG2HDAC3HDAC1PLA2G7
SCHEMBL2660248 0.79 NSD2 (0.33) NSD2PLCG2HDAC3HDAC1PLA2G7

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