SCHEMBL29789889

SCHEMBL29789889

C[C@@H]1CN(c2cc(F)c(-c3cccc(CN4CCOCC4)c3)cc2[N+](=O)[O-])CCN1C

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 19/20 0.57
▸ CHRM3 P20309 1/20 0.44

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
SCHEMBL29789992 1.00 WDR5 (0.57) WDR5CHRM3
SCHEMBL20896556 1.00 WDR5 (0.57) WDR5CHRM3
SCHEMBL20896611 1.00 WDR5 (0.57) WDR5CHRM3
SCHEMBL20896835 0.88 WDR5 (0.60) WDR5
SCHEMBL29789668 0.88 WDR5 (0.60) WDR5
SCHEMBL20896855 0.85 WDR5 (0.59) WDR5CHRM3
SCHEMBL29790014 0.85 WDR5 (0.59) WDR5CHRM3
SCHEMBL20606478 0.85 WDR5 (0.59) WDR5CHRM3
SCHEMBL20606343 0.84 WDR5 (0.58) WDR5CHRM3
SCHEMBL29790029 0.82 ALDH1A1 (0.48) WDR5

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
CN-109195965-B Inhibitors of WDR5 protein-protein binding 普罗佩纶治疗公司 2022-07-26 — — CN disclosed
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