SCHEMBL6889343

SCHEMBL6889343

[C]c1c(-c2ccc(C#N)cc2)c(C)n(Cc2cncc(C(C)CO)c2)c1C

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.60
SLC22A12 Q96S37 3/20 0.35
CYP11B2 P19099 5/20 0.35
CYP11B1 P15538 3/20 0.34
FYN P06241 1/20 0.33
XDH P47989 1/20 0.33
CYP19A1 P11511 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
SCHEMBL6884243 0.82 AR (0.53) ARCYP11B2CYP11B1FYNCYP19A1
SCHEMBL6464131 0.74 AR (0.80) ARCYP11B2CYP11B1CYP19A1
SCHEMBL6464535 0.71 AR (0.67) ARCYP11B2CYP11B1FYNCYP19A1
SCHEMBL6464438 0.70 AR (0.73) ARSLC22A12CYP11B2CYP11B1CYP19A1
SCHEMBL6889336 0.70 AR (0.61) ARSLC22A12CYP11B2CYP11B1CYP19A1
SCHEMBL6466344 0.68 AR (0.69) ARCYP11B2CYP11B1XDH
SCHEMBL5251476 0.68 AR (0.60) ARSLC22A12XDH
SCHEMBL6465272 0.66 AR (1.00) ARCYP11B2CYP11B1CYP19A1
SCHEMBL4915248 0.66 AR (0.72) ARCYP11B2CYP11B1CYP19A1
SCHEMBL4921936 0.65 AR (1.00) ARCYP11B2CYP11B1

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
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed