SCHEMBL25270702

SCHEMBL25270702

Nc1ccc(N2CCN(Cc3ccc4c(c3)CN(C3CCC(C(=O)C=O)NC3)C4=O)CC2)cn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 1/20 0.38
▸ IKZF3 Q9UKT9 1/20 0.38
▸ PARP1 P09874 11/20 0.35
▸ PARP2 Q9UGN5 4/20 0.35
▸ PARP6 Q2NL67 2/20 0.35
▸ PARP3 Q9Y6F1 2/20 0.35
▸ TNKS O95271 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ IKZF2 Q9UKS7 4/20 0.34
▸ MAOA P21397 4/20 0.33

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
SCHEMBL25235773 0.84 CRBN (0.44) CRBNIKZF3PARP1PARP2PARP6
SCHEMBL30459674 0.82 HTR2B (0.39) CRBNIKZF3PARP1PARP2PARP6
SCHEMBL25422652 0.82 HTR2A (0.38) CRBNIKZF3PARP1PARP2IKZF2
SCHEMBL25420240 0.81 PARP1 (0.39) CRBNIKZF3PARP1PARP2IKZF2
SCHEMBL27036816 0.80 MAOA (0.37) CRBNIKZF2MAOA
SCHEMBL25422666 0.79 MAOA (0.35) CRBNIKZF3PARP1PARP2KCNH2
SCHEMBL25422761 0.79 MAOA (0.35) CRBNIKZF3PARP1PARP2KCNH2
Hydrochloric Acid SCHEMBL29099257 0.78 MAOA (0.41) CRBNIKZF3PARP1KCNH2MAOA
SCHEMBL25421720 0.77 HTR2A (0.39) CRBNIKZF3PARP1PARP2KCNH2
SCHEMBL31076678 0.77 IKZF2 (0.57) CRBNIKZF3IKZF2

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
WO-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 — — WO claimed
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