SCHEMBL30923249

SCHEMBL30923249

COc1cccc(C(=O)NC2CC3(CCNCC3)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.53
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ FAAH O00519 1/20 0.52
▸ CNR2 P34972 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ TSHR P16473 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ ATM Q13315 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ GRM6 O15303 1/20 0.47
▸ GRM2 Q14416 1/20 0.47
▸ GRM3 Q14832 1/20 0.47
▸ GRM4 Q14833 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL30564259 0.85 ALDH1A1 (0.56) GRM5MEN1KMT2AFAAHCNR2
SCHEMBL30478998 0.84 NPC1 (0.58) GRM5MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL30479071 0.84 MCHR1 (0.49) GRM5MEN1KMT2AALDH1A1TSHR
SCHEMBL1711687 0.84 ALDH1A1 (0.63) GRM5MEN1KMT2AALDH1A1TSHR
SCHEMBL29530916 0.84 ALDH1A1 (0.63) GRM5MEN1KMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL31722313 0.83 ALDH1A1 (0.62) GRM5MEN1KMT2AALDH1A1TSHR
SCHEMBL17067333 0.81 L3MBTL1 (0.74) GRM5MEN1KMT2AFAAHCNR2
SCHEMBL30938343 0.81 ALDH1A1 (0.57) GRM5MEN1KMT2AFAAHCNR2
SCHEMBL30479051 0.81 EZH2 (0.55) MEN1KMT2AFAAHL3MBTL1NPC1
SCHEMBL25034788 0.80 MEN1 (0.51) MEN1KMT2ACNR2L3MBTL1ATM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119790057-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2025-04-08 — — CN disclosed
CN-116322700-B Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2024-08-20 — — CN disclosed
CN-118076607-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 — — CN disclosed
CN-116261458-B PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 — — CN disclosed
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