SCHEMBL2659893

SCHEMBL2659893

COCCOc1cc(NS(=O)(=O)c2ncccc2CC2CC2)c2[nH]c(C(=O)O)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 2/20 0.35
TP53 P04637 5/20 0.34
LMNA P02545 4/20 0.34
THRB P10828 2/20 0.34
PIK3CG P48736 5/20 0.34
MAPT P10636 2/20 0.34
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL2660371 0.91 POLB (0.37) SLC40A1TP53LMNATHRBPIK3CG
SCHEMBL2661053 0.87 SLC40A1 (0.35) SLC40A1TP53LMNATHRBMAPT
SCHEMBL2660887 0.86 SLC40A1 (0.35) SLC40A1TP53LMNATHRBMAPT
SCHEMBL2659522 0.86 SLC40A1 (0.38) SLC40A1TP53LMNATHRBMAPT
SCHEMBL2659714 0.82 SLC40A1 (0.38) SLC40A1TP53LMNATHRBMAPT
SCHEMBL2659731 0.81 METAP2 (0.43) SLC40A1
SCHEMBL2660656 0.80 LMNA (0.33) TP53LMNATHRBITGB3ITGA2B
SCHEMBL2659586 0.78 MAPT (0.36) SLC40A1TP53LMNATHRBMAPT
SCHEMBL2661711 0.78 POLB (0.38) SLC40A1TP53LMNATHRBMAPT
SCHEMBL2660187 0.78 POLB (0.38) SLC40A1TP53LMNATHRBMAPT

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