SCHEMBL5015363

SCHEMBL5015363

COCOc1cc(Cl)ccc1-c1cc(-c2cccc(NC(=O)CCNC(=O)O)c2)c(C#N)c(N)n1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 15/20 0.56
CHUK O15111 1/20 0.49
KISS1R Q969F8 5/20 0.47

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
SCHEMBL5017476 0.89 IKBKB (0.54) IKBKBCHUKKISS1R
SCHEMBL4197105 0.87 IKBKB (0.52) IKBKBCHUKKISS1R
SCHEMBL5013996 0.85 KISS1R (0.62) IKBKBKISS1R
SCHEMBL5023422 0.85 KISS1R (0.53) IKBKBKISS1R
SCHEMBL5015336 0.85 KISS1R (0.68) KISS1R
SCHEMBL5015350 0.85 KISS1R (0.50) KISS1R
SCHEMBL5014021 0.85 KISS1R (0.62) KISS1R
SCHEMBL5015486 0.84 KISS1R (0.52) KISS1R
SCHEMBL5015358 0.84 KISS1R (0.51) KISS1R
SCHEMBL4208004 0.84 IKBKB (0.50) IKBKBCHUKKISS1R

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