SCHEMBL19976340

SCHEMBL19976340

C[C@H](O)[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.50
TAS2R14 Q9NYV8 1/20 0.47
SLC22A12 Q96S37 1/20 0.46
CYP2C19 P33261 1/20 0.44
ABCB11 O95342 1/20 0.44
ALB P02768 1/20 0.44
PGR P06401 1/20 0.44
ADRA2C P18825 1/20 0.44
GHSR Q92847 1/20 0.44

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
SCHEMBL4903311 0.88 AR (0.52) ARTAS2R14SLC22A12PGR
SCHEMBL3289362 0.85 AR (0.55) ARTAS2R14SLC22A12PGR
SCHEMBL1291418 0.83 TAS2R14 (0.51) ARTAS2R14SLC22A12CYP2C19ABCB11
SCHEMBL1363115 0.83 TAS2R14 (0.51) ARTAS2R14SLC22A12CYP2C19ABCB11
SCHEMBL1363920 0.83 TAS2R14 (0.51) ARTAS2R14SLC22A12CYP2C19ABCB11
SCHEMBL12140104 0.83 TAS2R14 (0.51) ARTAS2R14SLC22A12CYP2C19ABCB11
SCHEMBL3290604 0.82 AR (0.52) ARTAS2R14SLC22A12PGR
SCHEMBL13747842 0.82 AR (0.48) ARTAS2R14SLC22A12CYP2C19ABCB11
SCHEMBL15712966 0.82 TAS2R14 (0.47) ARTAS2R14SLC22A12CYP2C19ABCB11
SCHEMBL5120802 0.82 AR (0.49) ARTAS2R14SLC22A12CYP2C19ABCB11

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
US-9920044-B2 Selective androgen receptor modulators RADIUS PHARMACEUTICALS, INC. (US) 2018-03-20 US disclosed