SCHEMBL6889336

SCHEMBL6889336

Cc1c(-c2ccc(C#N)cc2)c(C)n(Cc2cncc(C(C)(C)O)c2)c1C

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.61
CYP11B2 P19099 7/20 0.41
CYP11B1 P15538 4/20 0.35
KDM1A O60341 1/20 0.35
SLC22A12 Q96S37 2/20 0.35
CYP19A1 P11511 1/20 0.34

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
SCHEMBL6464438 0.92 AR (0.73) ARCYP11B2CYP11B1KDM1ASLC22A12
SCHEMBL6884237 0.80 AR (0.57) ARCYP11B2CYP11B1KDM1ACYP19A1
SCHEMBL6889022 0.77 AR (0.68) ARCYP11B2CYP11B1CYP19A1
SCHEMBL6464131 0.76 AR (0.80) ARCYP11B2CYP11B1CYP19A1
SCHEMBL15147305 0.72 AR (0.58) ARCYP11B2CYP11B1
SCHEMBL6464529 0.71 AR (0.69) ARCYP11B2CYP11B1KDM1ACYP19A1
SCHEMBL6889343 0.70 AR (0.60) ARCYP11B2CYP11B1SLC22A12CYP19A1
SCHEMBL6466344 0.70 AR (0.69) ARCYP11B2CYP11B1KDM1A
SCHEMBL6464828 0.70 AR (0.77) ARCYP11B2CYP11B1CYP19A1
SCHEMBL6465272 0.68 AR (1.00) ARCYP11B2CYP11B1CYP19A1

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