SCHEMBL22259584

SCHEMBL22259584

O=C(C1CC1)N1CCC(Cn2c(-c3ccc(-c4cccc(O)c4)cc3)nc3ccc(Br)cc32)C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.47
FASN P49327 7/20 0.46
BRD2 P25440 1/20 0.42
EP300 Q09472 1/20 0.42
BRD3 Q15059 1/20 0.42
BRDT Q58F21 1/20 0.42

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
SCHEMBL14097 1.00 BRD4 (0.47) BRD4FASNBRD2EP300BRD3
SCHEMBL11198 0.92 BRD4 (0.51) BRD4FASNBRD2EP300BRD3
SCHEMBL22259585 0.92 BRD4 (0.51) BRD4FASNBRD2EP300BRD3
SCHEMBL11197 0.92 BRD4 (0.51) BRD4FASNBRD2EP300BRD3
SCHEMBL10624 0.91 BRD4 (0.50) BRD4FASNBRD2EP300BRD3
SCHEMBL22220868 0.91 BRD4 (0.50) BRD4FASNBRD2EP300BRD3
SCHEMBL10623 0.91 BRD4 (0.50) BRD4FASNBRD2EP300BRD3
SCHEMBL22259586 0.88 FASN (0.47) BRD4FASNBRD2EP300BRD3
SCHEMBL13656 0.88 FASN (0.47) BRD4FASNBRD2EP300BRD3
SCHEMBL13657 0.88 FASN (0.47) BRD4FASNBRD2EP300BRD3

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-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO disclosed