SCHEMBL22259633

SCHEMBL22259633

COc1ccc(-c2ccc(-c3nc4c(Br)cccc4n3CC3CCN(C(=O)C4CC4)C3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FASN P49327 9/20 0.43
BRD4 O60885 7/20 0.42
PIK3CD O00329 3/20 0.41
ALDH1A1 P00352 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
SCHEMBL10296 1.00 FASN (0.43) FASNBRD4PIK3CDALDH1A1
SCHEMBL10297 1.00 FASN (0.43) FASNBRD4PIK3CDALDH1A1
SCHEMBL22220788 0.91 BRD4 (0.45) FASNBRD4PIK3CD
SCHEMBL10712 0.91 BRD4 (0.45) FASNBRD4PIK3CD
SCHEMBL10713 0.91 BRD4 (0.45) FASNBRD4PIK3CD
SCHEMBL10756 0.90 FASN (0.44) FASNBRD4PIK3CDALDH1A1
SCHEMBL22220744 0.90 FASN (0.44) FASNBRD4PIK3CDALDH1A1
SCHEMBL10755 0.90 FASN (0.44) FASNBRD4PIK3CDALDH1A1
SCHEMBL22259638 0.90 BRD4 (0.45) FASNBRD4
SCHEMBL11027 0.90 BRD4 (0.45) FASNBRD4

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