SCHEMBL29013185

SCHEMBL29013185

COc1cc(C(=O)N2CCN(CC3CCN(OC(N)=O)CC3)CC2)ccc1N1CCC(=O)NC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ PDE3B Q13370 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ SOS1 Q07889 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ DRD3 P35462 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
SCHEMBL29013134 0.93 SOS1 (0.46) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL25335301 0.90 NR3C1 (0.43) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL25332284 0.85 NR3C1 (0.41) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL29013157 0.85 DDB1 (0.42) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL29013153 0.83 DDB1 (0.43) ALDH1A1KDM4ESMN1; SMN2GAATSHR
SCHEMBL30501235 0.83 SOS1 (0.46) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL25935489 0.83 SOS1 (0.46) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL30135978 0.82 DDB1 (0.39) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL23134537 0.81 SOS1 (0.45) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL31213547 0.81 SOS1 (0.46) NR3C1PGRSLC6A4KCNH2PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116261458-B PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 — — CN disclosed
CN-116261458-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-13 — — CN disclosed
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