SCHEMBL5299756

SCHEMBL5299756

CC1CNc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2O1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 20/20 0.65
PGR P06401 3/20 0.56
NR3C1 P04150 1/20 0.53
NR3C2 P08235 1/20 0.53

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
SCHEMBL6308099 0.76 AR (0.90) ARPGRNR3C1
SCHEMBL3023963 0.74 AR (1.00) ARPGRNR3C1
SCHEMBL6675822 0.72 AR (0.63) ARPGRNR3C1
SCHEMBL3023968 0.71 AR (1.00) ARPGRNR3C1
SCHEMBL3017710 0.71 AR (1.00) ARPGRNR3C1NR3C2
SCHEMBL3012214 0.71 AR (1.00) ARPGRNR3C1
SCHEMBL20459221 0.68 AR (0.59) ARPGRNR3C1NR3C2
SCHEMBL2867083 0.68 AR (0.90) ARPGRNR3C1NR3C2
SCHEMBL12158649 0.67 AR (1.00) ARPGR
SCHEMBL11451485 0.66 KMT2A (0.42)

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-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 WO disclosed