SCHEMBL2661002

SCHEMBL2661002

COC(OC)C(CNC(=O)c1cc2cc(C)cc(NS(=O)(=O)c3sccc3C)c2[nH]1)SCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LGALS8 O00214 1/20 0.32
LGALS3 P17931 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PYGL P06737 1/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 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
SCHEMBL2660519 0.92 HDAC3 (0.35) LGALS8LGALS3KDM4EMAPT
SCHEMBL2661758 0.90 LGALS8 (0.32) LGALS8LGALS3KDM4ENPC1RAB9A
SCHEMBL2659767 0.88 PYGL (0.32) LGALS8LGALS3MEN1KMT2APYGL
SCHEMBL2661327 0.88 PLA2G7 (0.31) MEN1KMT2ANPC1RAB9A
SCHEMBL2660397 0.86 MCL1 (0.31) LGALS8LGALS3PYGL
SCHEMBL2659747 0.86 MCL1 (0.31) LGALS8LGALS3PYGL
SCHEMBL2660563 0.81 HDAC3 (0.36) MAPT
SCHEMBL2659947 0.80 ALDH1A1 (0.40) NPC1
SCHEMBL2659987 0.79 LGALS8 (0.33) LGALS8LGALS3KDM4EKMT2A
SCHEMBL2660055 0.79 MAPT (0.39) KDM4EMEN1KMT2ANPC1RAB9A

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