(R)-Bicalutamide

(R)-Bicalutamide

SCHEMBL28262190

C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.[Cl-].[H+]

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

AR

The experimentally established mechanism targets of (R)-Bicalutamide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AR known ✓ P10275 10/20 0.96
▸ CYP2C19 P33261 1/20 0.96
▸ ABCB11 O95342 1/20 0.96
▸ ALB P02768 1/20 0.96
▸ PGR P06401 1/20 0.96
▸ ADRA2C P18825 1/20 0.96
▸ GHSR Q92847 1/20 0.96

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
(S)-Bicalutamide SCHEMBL5365801 0.98 AR (1.00) ARCYP2C19ABCB11ALBPGR
Bicalutamide SCHEMBL3611 0.98 AR (1.00) ARCYP2C19ABCB11ALBPGR
Bicalutamide SCHEMBL29353850 0.98 AR (1.00) ARCYP2C19ABCB11ALBPGR
(R)-Bicalutamide SCHEMBL3612 0.98 AR (1.00) ARCYP2C19ABCB11ALBPGR
Bicalutamide SCHEMBL1561110 0.98 AR (1.00) ARCYP2C19ABCB11ALBPGR
(S)-Bicalutamide SCHEMBL29444530 0.98 AR (1.00) ARCYP2C19ABCB11ALBPGR
Bicalutamide SCHEMBL1933417 0.98 AR (1.00) ARCYP2C19ABCB11ALBPGR
(R)-Bicalutamide SCHEMBL29354880 0.98 AR (1.00) ARCYP2C19ABCB11ALBPGR
Bicalutamide SCHEMBL679554 0.95 AR (0.94) ARCYP2C19ABCB11ALBPGR
SCHEMBL15325704 0.91 AR (0.87) ARCYP2C19ABCB11ALBPGR

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
CN-109069531-A PLATINUM ANTICANCER AGENTS 加利福尼亚大学董事会 2018-12-21 — — CN disclosed
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