SCHEMBL22259643

SCHEMBL22259643

O=C(C1CC1)N1CCC(Cn2c(-c3ccc(-c4ccc5cc[nH]c5c4)cc3)nc3c(Br)cccc32)C1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FASN P49327 15/20 0.56
BRD4 O60885 4/20 0.41
PIK3CD O00329 1/20 0.40

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
SCHEMBL10956 1.00 FASN (0.56) FASNBRD4PIK3CD
SCHEMBL10957 1.00 FASN (0.56) FASNBRD4PIK3CD
SCHEMBL10806 0.95 FASN (0.63) FASNBRD4PIK3CD
SCHEMBL10805 0.95 FASN (0.63) FASNBRD4PIK3CD
SCHEMBL22259641 0.95 FASN (0.63) FASNBRD4PIK3CD
SCHEMBL22220901 0.92 FASN (0.58) FASNBRD4PIK3CD
SCHEMBL13714 0.92 FASN (0.58) FASNBRD4PIK3CD
SCHEMBL11908956 0.92 FASN (0.58) FASNBRD4PIK3CD
SCHEMBL10838 0.90 FASN (0.55) FASNBRD4PIK3CD
SCHEMBL22259634 0.90 FASN (0.55) FASNBRD4PIK3CD

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