SCHEMBL25035194

SCHEMBL25035194

COc1ccc(OCCCC(=O)N2CCC(N)CC2)cc1N1CCC(=O)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
TNKS O95271 1/20 0.42
PARP1 P09874 1/20 0.42
PARP10 Q53GL7 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
CRBN Q96SW2 2/20 0.41
MLKL Q8NB16 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
DDB1 Q16531 1/20 0.41
PDE3B Q13370 6/20 0.39
PDE3A Q14432 6/20 0.39
P2RY12 Q9H244 2/20 0.39
DRD2 P14416 4/20 0.39
DRD4 P21917 4/20 0.39
DRD3 P35462 4/20 0.39

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
SCHEMBL30475454 1.00 ALDH1A1 (0.42) ALDH1A1KMT2AHPGDMEN1LMNA
SCHEMBL25033922 0.93 ALDH1A1 (0.42) ALDH1A1KMT2AHPGDMEN1LMNA
SCHEMBL25035187 0.84 PDE3B (0.41) ALDH1A1KMT2AHPGDMEN1LMNA
SCHEMBL30135802 0.84 PDE3B (0.41) ALDH1A1KMT2AHPGDMEN1LMNA
SCHEMBL25035190 0.84 DRD2 (0.46) CRBNDDB1PDE3BPDE3AP2RY12
SCHEMBL30475449 0.84 DRD2 (0.46) CRBNDDB1PDE3BPDE3AP2RY12
SCHEMBL25824324 0.82 ALDH1A1 (0.42) ALDH1A1KMT2AHPGDMEN1LMNA
SCHEMBL30475465 0.82 CRBN (0.41) ALDH1A1KMT2AHPGDMEN1LMNA
SCHEMBL25034750 0.80 HTR7 (0.44) ALDH1A1TNKSPARP1PARP10TNKS2
SCHEMBL30475475 0.80 HTR7 (0.44) ALDH1A1TNKSPARP1PARP10TNKS2

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
WO-2023018238-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed