SCHEMBL29913687

SCHEMBL29913687

COc1c(C#N)cccc1OC1C(C)(C)C(N)C1(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ AR P10275 4/20 0.33
▸ IMPDH2 P12268 1/20 0.33
▸ IMPDH1 P20839 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ GLA P06280 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ PGR P06401 1/20 0.32

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
Hydrochloric Acid SCHEMBL31467790 0.81 ALDH1A1 (0.38) GAAPOLBKDM4EMAPTALDH1A1
SCHEMBL338999 0.76 POLB (0.50) GAAPOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL30934831 0.76 POLB (0.50) GAAPOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL31565383 0.75 AR (0.37) KDM4EALDH1A1ARIMPDH2IMPDH1
Hydrochloric Acid SCHEMBL29913721 0.74 AR (0.36) KDM4EALDH1A1ARIMPDH2IMPDH1
SCHEMBL22661404 0.72 IMPDH2 (0.55) KDM4EALDH1A1ARIMPDH2IMPDH1
SCHEMBL6736896 0.72 POLB (0.47) GAAPOLBKDM4EMAPTALDH1A1
SCHEMBL23572690 0.71 AR (0.51) GAAPOLBKDM4EALDH1A1AR
SCHEMBL23536760 0.71 AR (0.51) GAAPOLBKDM4EALDH1A1AR
Hydrochloric Acid SCHEMBL31320314 0.70 AR (0.50) GAAPOLBKDM4EALDH1A1AR

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-115175901-A Compounds and methods for targeted degradation of androgen receptor 阿尔维纳斯运营股份有限公司 2022-10-11 — — CN disclosed
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