SCHEMBL25347409

SCHEMBL25347409

N#CC1(c2cc(F)cc(Br)c2)CCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 17/20 0.40
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 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
SCHEMBL19950462 0.93 WDR5 (0.37) WDR5
SCHEMBL18742483 0.87 NPC1 (0.36) WDR5NPC1ALDH1A1LMNATP53
SCHEMBL21820655 0.83 NPC1 (0.39) WDR5NPC1ALDH1A1LMNATP53
SCHEMBL13344066 0.83 OPRM1 (0.50)
SCHEMBL8184527 0.82 CNR1 (0.39) WDR5NPC1ALDH1A1LMNATP53
SCHEMBL1542487 0.79 WDR5 (0.41) WDR5
SCHEMBL1839257 0.79 OPRM1 (0.34) WDR5NPC1ALDH1A1LMNATP53
SCHEMBL3491179 0.78 CA12 (0.39) WDR5ALDH1A1
SCHEMBL624106 0.77 CYP1A2 (0.33) WDR5NPC1ALDH1A1LMNATP53
SCHEMBL19031018 0.76 WDR5 (0.40) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023151642-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 WO disclosed
WO-2023151641-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 WO disclosed
WO-2023151640-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 WO disclosed