SCHEMBL22259586

SCHEMBL22259586

O=C(C1CC1)N1CCC(Cn2c(-c3ccc(-c4ccc(F)cc4)cc3)nc3ccc(Br)cc32)C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 7/20 0.47
▸ BRD4 O60885 13/20 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
SCHEMBL13656 1.00 FASN (0.47) FASNBRD4BRD2EP300BRD3
SCHEMBL13657 1.00 FASN (0.47) FASNBRD4BRD2EP300BRD3
SCHEMBL11909586 0.94 FASN (0.48) FASNBRD4BRD2EP300BRD3
SCHEMBL11891 0.94 FASN (0.48) FASNBRD4BRD2EP300BRD3
SCHEMBL10794 0.93 FASN (0.52) FASNBRD4BRD2EP300BRD3
SCHEMBL10795 0.93 FASN (0.52) FASNBRD4BRD2EP300BRD3
SCHEMBL11198 0.92 BRD4 (0.51) FASNBRD4BRD2EP300BRD3
SCHEMBL22259585 0.92 BRD4 (0.51) FASNBRD4BRD2EP300BRD3
SCHEMBL11197 0.92 BRD4 (0.51) FASNBRD4BRD2EP300BRD3
SCHEMBL22220804 0.90 FASN (0.50) FASNBRD4BRD2EP300BRD3

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
Send feedback