SCHEMBL28937734

SCHEMBL28937734

CC1(C)C(N)C(C)(C)C1Oc1ccc(C#N)c(C#N)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 14/20 0.60
▸ MAOB P27338 3/20 0.40
▸ CYP19A1 P11511 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL20046295 1.00 AR (0.60) ARMAOBCYP19A1MAOAKDM4E
SCHEMBL25059066 0.88 AR (0.62) AR
SCHEMBL24379222 0.88 AR (0.62) AR
SCHEMBL18473038 0.86 AR (0.63) AR
SCHEMBL29817288 0.86 AR (0.63) AR
SCHEMBL17162070 0.86 AR (0.63) AR
SCHEMBL17162071 0.86 AR (0.63) AR
SCHEMBL17941087 0.86 AR (0.63) AR
SCHEMBL23536760 0.85 AR (0.51) ARKDM4EUSP2ALDH1A1
SCHEMBL23572690 0.85 AR (0.51) ARKDM4EUSP2ALDH1A1

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-114181277-A Chimeric compound for targeted degradation of androgen receptor protein, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2022-03-15 — — CN disclosed
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