SCHEMBL31329930

SCHEMBL31329930

Clc1ncc(C2CC2)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
ALDH1A1 P00352 5/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.36

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
SCHEMBL7906713 0.79 KDM4E (0.40) CHRNB2CHRNA4KDM4E
SCHEMBL7098381 0.78 ALDH1A1 (0.39) CHRNB2CHRNA4ALDH1A1HTTGAA
SCHEMBL7098852 0.78 ALDH1A1 (0.39) CHRNB2CHRNA4ALDH1A1HTTGAA
SCHEMBL7103930 0.77 ALDH1A1 (0.40) CHRNB2CHRNA4ALDH1A1HTTGAA
SCHEMBL7098393 0.77 ALDH1A1 (0.40) CHRNB2CHRNA4ALDH1A1HTTGAA
SCHEMBL21367908 0.76 KDM4E (0.38) KDM4E
SCHEMBL2250114 0.76 HTT (0.52) HTTKDM4E
SCHEMBL7105555 0.75 ALDH1A1 (0.39) CHRNB2CHRNA4ALDH1A1HTTGAA
SCHEMBL7101906 0.75 ALDH1A1 (0.39) CHRNB2CHRNA4ALDH1A1HTTGAA
SCHEMBL25928002 0.74 KDM4E (0.37) KDM4E

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-2024249817-A1 TRICYCLIC PKMYT1 KINASE INHIBITORS ENLIVEN INC. (US) 2024-12-05 WO disclosed