SCHEMBL5017433

SCHEMBL5017433

CCOc1ccccc1C(=O)Nc1nc(-c2ccc(Cl)cc2OCOC)cc(-c2cccc(C(=O)NCCNC(=O)O)c2)c1C#N

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 17/20 0.56
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
KCNMA1 Q12791 1/20 0.39
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38

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
SCHEMBL5023345 0.95 KISS1R (0.63) KISS1R
SCHEMBL5013999 0.92 KISS1R (0.54) KISS1RKCNK3KCNK9
SCHEMBL4199932 0.90 KISS1R (0.52) KISS1RMEN1KMT2AUSP2TP53
SCHEMBL4200482 0.87 KISS1R (0.59) KISS1R
SCHEMBL5023419 0.86 KISS1R (0.58) KISS1R
SCHEMBL5017479 0.85 KISS1R (0.46) KISS1R
SCHEMBL5023422 0.85 KISS1R (0.53) KISS1R
SCHEMBL5013998 0.85 KISS1R (0.60) KISS1R
SCHEMBL4197534 0.85 KISS1R (0.58) KISS1R
SCHEMBL4205518 0.83 KISS1R (0.51) 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