SCHEMBL15712940

SCHEMBL15712940

C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1I)C(=O)NN

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.39
PGR P06401 3/20 0.37
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NR3C1 P04150 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
S1PR3 Q99500 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
SCHEMBL15713024 0.90 CXCR1 (0.37) ARPGRCXCR1CXCR2L3MBTL1
SCHEMBL15712938 0.90 CXCR1 (0.37) ARPGRCXCR1CXCR2L3MBTL1
SCHEMBL13747780 0.87 AR (0.48) ARPGRCXCR1CXCR2L3MBTL1
SCHEMBL13748628 0.87 AR (0.48) ARPGRCXCR1CXCR2L3MBTL1
SCHEMBL15712968 0.86 AR (0.40) ARPGRCXCR1CXCR2L3MBTL1
SCHEMBL15712958 0.78 CXCR1 (0.36) ARPGRCXCR1CXCR2L3MBTL1
SCHEMBL15713138 0.77 CXCR1 (0.34) ARPGRCXCR1CXCR2L3MBTL1
SCHEMBL15712932 0.76 KAT6A (0.38) ALDH1A1
SCHEMBL1364415 0.75 AR (0.40) ARPGRCXCR1CXCR2L3MBTL1
SCHEMBL12140371 0.73 S1PR3 (0.39) L3MBTL1KDM4EALDH1A1GAAS1PR3

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-2260028-B1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH INC (US) 2014-05-07 EP disclosed