SCHEMBL5065155

SCHEMBL5065155

COCOc1ccccc1-c1cc(-c2c(C)cccc2C(=O)O)c(C#N)c(NC(=O)c2cccs2)n1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 19/20 0.53
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4205536 0.91 KISS1R (0.59) KISS1RMEN1KMT2A
SCHEMBL4210161 0.87 KISS1R (0.59) KISS1RMEN1KMT2A
SCHEMBL5014999 0.86 KISS1R (0.63) KISS1RMEN1KMT2A
SCHEMBL4211031 0.86 KISS1R (0.56) KISS1RMEN1KMT2A
SCHEMBL4210388 0.85 KISS1R (0.73) KISS1R
SCHEMBL4217888 0.85 KISS1R (0.61) KISS1R
SCHEMBL4205801 0.84 KISS1R (0.54) KISS1RMEN1KMT2A
SCHEMBL4209981 0.83 KISS1R (0.75) KISS1R
SCHEMBL4204198 0.82 KISS1R (0.64) KISS1R
SCHEMBL5015409 0.82 KISS1R (0.65) KISS1R

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