SCHEMBL2659433

SCHEMBL2659433

Cc1ccsc1S(=O)(=O)Nc1cccc2cc(C(=O)NCC3(SCc4ccccc4)CCN(C(=O)O)CC3)[nH]c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
PLCG2 P16885 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
HRH4 Q9H3N8 3/20 0.32
MAPT P10636 2/20 0.31
PKLR P30613 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
PLA2G7 Q13093 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 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
SCHEMBL2661008 0.90 NSD2 (0.33) NSD2HDAC3HDAC1PLCG2PPARG
SCHEMBL2660248 0.90 NSD2 (0.33) NSD2HDAC3HDAC1PLCG2PPARG
SCHEMBL2659954 0.88 NSD2 (0.32) NSD2HDAC3HDAC1PLCG2PPARG
SCHEMBL2659423 0.83 HRH4 (0.32) NSD2HDAC3HDAC1PLCG2HRH4
SCHEMBL2659015 0.82 HDAC3 (0.32) NSD2HDAC3HDAC1PLCG2HRH4
SCHEMBL2659614 0.82 NAMPT (0.37) LMNATP53THRBNAMPT
SCHEMBL2660563 0.78 HDAC3 (0.36) NSD2HDAC3HDAC1PLCG2PPARG
SCHEMBL2659696 0.78 NSD2 (0.37) NSD2HDAC3HDAC1PLCG2PPARG
SCHEMBL2659436 0.78 PLCG2 (0.36) PLCG2PPARGPPARDPPARAMAPT
SCHEMBL2661595 0.78 BDKRB1 (0.32) HDAC3HDAC1

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