SCHEMBL2659015

SCHEMBL2659015

Cc1ccsc1S(=O)(=O)Nc1cccc2cc(C(=O)NCC(CN3CCN(C(=O)O)CC3)SCc3ccccc3)[nH]c12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HRH4 Q9H3N8 2/20 0.32
PKM P14618 1/20 0.31
NSD2 O96028 1/20 0.31
PLCG2 P16885 1/20 0.31
SMYD2 Q9NRG4 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
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
THRB P10828 1/20 0.30
MAPT P10636 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
SCHEMBL2660075 0.92 MAPT (0.36) HDAC3HDAC1LMNAMAPT
SCHEMBL2661595 0.87 BDKRB1 (0.32) HDAC3HDAC1
SCHEMBL2659423 0.85 HRH4 (0.32) HDAC3HDAC1HRH4PKMNSD2
SCHEMBL2660563 0.83 HDAC3 (0.36) HDAC3HDAC1NSD2PLCG2MAPT
SCHEMBL2660524 0.83 RAB9A (0.35) LMNAMAPT
SCHEMBL2659433 0.82 NSD2 (0.33) HDAC3HDAC1HRH4NSD2PLCG2
SCHEMBL2660519 0.81 HDAC3 (0.35) HDAC3HDAC1NSD2PLCG2LMNA
SCHEMBL2659802 0.81 CTSS (0.32) LMNAMAPT
SCHEMBL2661312 0.80 MAPT (0.39) LMNAMAPT
SCHEMBL2661196 0.80 LMNA (0.38) HDAC3HDAC1NSD2LMNATP53

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