SCHEMBL13748286

SCHEMBL13748286

CC[C@@H](Nc1ccc(C#N)c(Cl)c1C)C(=O)NNC(=O)c1ccc(O)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.37
PGR P06401 5/20 0.36
NR3C2 P08235 3/20 0.35
NR3C1 P04150 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CXCR1 P25024 1/20 0.34
CXCR2 P25025 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
UBE2N P61088 1/20 0.34

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
SCHEMBL1363933 0.84 AR (0.45) ARPGRNR3C2NR3C1ALDH1A1
SCHEMBL1363936 0.84 AR (0.45) ARPGRNR3C2NR3C1ALDH1A1
SCHEMBL1364779 0.83 ALDH1A1 (0.39) ARPGRSMN1; SMN2CXCR1CXCR2
SCHEMBL1363767 0.83 AR (0.43) ARPGRNR3C2NR3C1CXCR1
SCHEMBL1364665 0.83 AR (0.43) ARPGRNR3C2NR3C1CXCR1
SCHEMBL1364781 0.83 ALDH1A1 (0.39) ARPGRSMN1; SMN2CXCR1CXCR2
SCHEMBL12140389 0.83 AR (0.43) ARPGRNR3C2NR3C1ALDH1A1
SCHEMBL1365443 0.78 AR (0.42) ARPGRALDH1A1
SCHEMBL1365014 0.78 AR (0.42) ARPGRALDH1A1
SCHEMBL15712960 0.78 AR (0.38) ARPGRNR3C2NR3C1SMN1; SMN2

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
WO-2009105214-A2 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. (US) 2009-08-27 WO disclosed