SCHEMBL2659522

SCHEMBL2659522

COCCOc1cc(NS(=O)(=O)c2ncccc2C)c2[nH]c(C(=O)O)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 4/20 0.38
MAPT P10636 6/20 0.36
TP53 P04637 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 1/20 0.36
CXCR2 P25025 1/20 0.36
AGTR1 P30556 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 1/20 0.36
MCL1 Q07820 1/20 0.35
POLB P06746 3/20 0.35
RORC P51449 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NFKBIA P25963 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL2659714 0.96 SLC40A1 (0.38) SLC40A1MAPTTP53MEN1KMT2A
SCHEMBL2659586 0.92 MAPT (0.36) SLC40A1MAPTTP53MEN1KMT2A
SCHEMBL2660615 0.90 SLC40A1 (0.47) SLC40A1MAPTTP53MEN1KMT2A
SCHEMBL2659672 0.90 SLC40A1 (0.37) SLC40A1MAPTTP53MEN1KMT2A
SCHEMBL2661053 0.87 SLC40A1 (0.35) SLC40A1MAPTTP53MEN1KMT2A
SCHEMBL2660887 0.87 SLC40A1 (0.35) SLC40A1MAPTTP53MEN1KMT2A
SCHEMBL2660085 0.86 POLB (0.41) SLC40A1MAPTTP53MEN1KMT2A
SCHEMBL2659893 0.86 SLC40A1 (0.35) SLC40A1MAPTTP53MEN1KMT2A
SCHEMBL2659731 0.85 METAP2 (0.43) SLC40A1
SCHEMBL2660175 0.83 MAPT (0.35) SLC40A1MAPTTP53MEN1KMT2A

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