SCHEMBL23739464

SCHEMBL23739464

Bc1c(B)c(B)c(N2CCN(CCCCCc3cccc4c3CN(C(CCC=O)C(=O)NC)C4=O)CC2)c(O)c1B

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL23739966 0.99 KDM4E (0.30) KDM4E
SCHEMBL23739920 0.87 HTR1A (0.42) —
SCHEMBL23739669 0.85 DRD2 (0.37) —
SCHEMBL23739950 0.84 MEN1 (0.35) KDM4E
SCHEMBL23739671 0.84 ADRA1B (0.40) —
SCHEMBL23739921 0.84 DRD2 (0.41) —
SCHEMBL23739905 0.84 DRD2 (0.45) —
SCHEMBL23739600 0.84 KDM4E (0.40) KDM4E
SCHEMBL23739929 0.83 DRD2 (0.43) —
SCHEMBL23739716 0.83 KCNH2 (0.43) —

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
EP-3862348-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-08-11 — — EP disclosed
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