SCHEMBL4619621

SCHEMBL4619621

CC(C)(C)C(NC(=O)O)c1nc(CN(CC(F)(F)F)c2ccc(C#N)c(C(F)(F)F)c2)no1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.44
PGR P06401 2/20 0.44
S1PR1 P21453 1/20 0.35
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33

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
SCHEMBL4619748 0.85 AR (0.43) ARPGRS1PR1RXRARXRB
SCHEMBL4621251 0.84 AR (0.47) ARPGRS1PR1RXRARXRB
SCHEMBL4157221 0.83 AR (0.48) ARPGRS1PR1
SCHEMBL4146602 0.81 AR (0.46) ARPGRS1PR1
SCHEMBL4140157 0.80 AR (0.47) ARPGR
SCHEMBL4140569 0.79 AR (0.45) ARPGRRXRARXRBRXRG
SCHEMBL4149682 0.78 AR (0.44) ARPGRRXRARXRBRXRG
SCHEMBL4153666 0.78 AR (0.45) ARPGRRXRARXRBRXRG
SCHEMBL4145488 0.77 AR (0.43) ARPGRRXRARXRBRXRG
SCHEMBL4138496 0.77 AR (0.42) ARPGRRXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888512-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-20 EP claimed
WO-2006133216-A2 4-SUBSTITUTED ARYLAMINE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO claimed
EP-1888512-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-20 EP disclosed
WO-2006133216-A2 4-SUBSTITUTED ARYLAMINE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO disclosed