SCHEMBL5017484

SCHEMBL5017484

N#Cc1c(-c2cccc(NC(=O)CNC(=O)O)c2)cc(-c2ccccc2O)nc1NC(=O)c1cccs1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 19/20 0.82
IKBKB O14920 1/20 0.54

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
SCHEMBL5015325 0.92 KISS1R (0.84) KISS1RIKBKB
SCHEMBL13801671 0.92 KISS1R (0.82) KISS1RIKBKB
Hydrochloric Acid SCHEMBL4210407 0.91 KISS1R (0.81) KISS1RIKBKB
SCHEMBL5014973 0.91 KISS1R (0.83) KISS1RIKBKB
SCHEMBL13801668 0.90 KISS1R (1.00) KISS1R
Hydrochloric Acid SCHEMBL4205351 0.90 KISS1R (0.98) KISS1R
SCHEMBL5015396 0.90 KISS1R (1.00) KISS1R
Hydrochloric Acid SCHEMBL4207233 0.89 KISS1R (0.98) KISS1R
SCHEMBL13801665 0.89 KISS1R (0.75) KISS1RIKBKB
SCHEMBL4208475 0.88 KISS1R (1.00) KISS1RIKBKB

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-1921066-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-05-14 EP disclosed