SCHEMBL30475465

SCHEMBL30475465

COc1ccc(F)c(C(=O)NC2CCN(C(=O)CCCOc3ccc(OC)c(N4CCC(=O)NC4=O)c3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.41
TNKS O95271 2/20 0.41
PARP1 P09874 2/20 0.41
TNKS2 Q9H2K2 2/20 0.41
PARP10 Q53GL7 1/20 0.41
MLKL Q8NB16 1/20 0.41
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
MCHR1 Q99705 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
CCR3 P51677 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL25035187 0.84 PDE3B (0.41) CRBNTNKSPARP1TNKS2PARP10
SCHEMBL30135802 0.84 PDE3B (0.41) CRBNTNKSPARP1TNKS2PARP10
SCHEMBL30475454 0.82 ALDH1A1 (0.42) CRBNTNKSPARP1TNKS2PARP10
SCHEMBL25035194 0.82 ALDH1A1 (0.42) CRBNTNKSPARP1TNKS2PARP10
SCHEMBL25033928 0.78 PDE3B (0.41) CRBNTNKSPARP1TNKS2PARP10
SCHEMBL25035191 0.77 PLK1 (0.68)
SCHEMBL25033922 0.76 ALDH1A1 (0.42) CRBNTNKSPARP1TNKS2PARP10
SCHEMBL30475449 0.76 DRD2 (0.46) CRBNPDE3BPDE3A
SCHEMBL25035190 0.76 DRD2 (0.46) CRBNPDE3BPDE3A
SCHEMBL31255446 0.70 SMYD3 (0.50) CRBNALDH1A1LMNAKMT2AMCHR1

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-116322700-B Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2024-08-20 CN disclosed
CN-116322700-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-23 CN disclosed