SCHEMBL2659341

SCHEMBL2659341

COC(OC)C(CNC(=O)c1cc2cccc(NS(=O)(=O)c3ncccc3C)c2[nH]1)SCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
TP53 P04637 6/20 0.41
LMNA P02545 6/20 0.41
THRB P10828 2/20 0.41
POLB P06746 4/20 0.37
NSD2 O96028 2/20 0.36
SETD2 Q9BYW2 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
KCNA5 P22460 1/20 0.35

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
SCHEMBL2660055 0.91 MAPT (0.39) MAPTTP53LMNATHRBPOLB
SCHEMBL2660420 0.90 MAPT (0.40) MAPTTP53LMNATHRBPOLB
SCHEMBL2661032 0.89 MAPT (0.35) MAPTTP53LMNATHRBSLC40A1
SCHEMBL2660775 0.87 MAPT (0.43) MAPTTP53LMNATHRBPOLB
SCHEMBL2658758 0.86 MAPT (0.33) MAPTTP53LMNATHRBSLC40A1
SCHEMBL2660519 0.85 HDAC3 (0.35) MAPTTP53LMNATHRBNSD2
SCHEMBL2660945 0.84 MAPT (0.33) MAPTTP53LMNATHRBPOLB
SCHEMBL2659947 0.84 ALDH1A1 (0.40) TP53
SCHEMBL2661627 0.82 F10 (0.33) MAPTTP53LMNATHRBPOLB
SCHEMBL2661196 0.81 LMNA (0.38) MAPTTP53LMNATHRBPOLB

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