SCHEMBL18569093

SCHEMBL18569093

CN(Sc1ccsc1COCC(=O)O)c1cccc2cc(-c3nccs3)[nH]c12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.33
SLC6A9 P48067 1/20 0.32
FFAR1 O14842 1/20 0.31
LTA4H P09960 1/20 0.31
DGAT1 O75907 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
SCHEMBL18569117 0.86 TUBB4A (0.30)
SCHEMBL18569008 0.86 ACMSD (0.32) SLC6A9
SCHEMBL18568730 0.84
SCHEMBL1655822 0.83 PTGDR2 (0.33) PTGDR2SLC6A9FFAR1LTA4HDGAT1
SCHEMBL18568936 0.83
SCHEMBL18568661 0.83 ABL1 (0.31)
SCHEMBL18569102 0.83 PTPRC (0.33) SLC6A9DGAT1
SCHEMBL18568658 0.82
SCHEMBL18569107 0.81 CYP1A1 (0.33)
SCHEMBL18568906 0.81 BTK (0.35)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308839-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed