SCHEMBL4595452

SCHEMBL4595452

N#Cc1ccc(N(CCCC(=O)N2CCCC2)CC(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.48
PGR P06401 3/20 0.48
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
CETP P11597 1/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
S1PR1 P21453 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM1A O60341 1/20 0.36
TIPARP Q7Z3E1 1/20 0.35

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
SCHEMBL4595549 0.99 AR (0.47) ARPGRRXRARXRBRXRG
SCHEMBL4595035 0.91 AR (0.46) ARPGRCETP
SCHEMBL4619274 0.91 AR (0.46) ARPGRRXRARXRBRXRG
SCHEMBL4595143 0.88 AR (0.44) ARPGRRXRARXRBRXRG
Trifluoroacetic Acid SCHEMBL3419464 0.82 AR (0.48) ARPGRRXRARXRBRXRG
SCHEMBL13070777 0.79 AR (0.46) ARPGRS1PR1
SCHEMBL3039891 0.79 AR (0.52) ARPGRRXRARXRBRXRG
SCHEMBL14625835 0.77 AR (0.37) ARCETPMEN1KMT2A
SCHEMBL4175159 0.77 AR (0.46) ARCETPMEN1KMT2A
SCHEMBL3060320 0.77 AR (0.53) ARPGR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871379-A2 CYANOARYLAMINES Smithkline Beecham Corporation (US) 2008-01-02 EP disclosed
WO-2006113552-A2 CYANOARYLAMINES SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO disclosed