SCHEMBL22259642

SCHEMBL22259642

O=C(C1CC1)N1CCC(Cn2c(-c3ccc(-c4ccc5[nH]ncc5c4)cc3)nc3c(Br)cccc32)C1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FASN P49327 15/20 0.63
PIK3CD O00329 1/20 0.41
BRD4 O60885 4/20 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
SCHEMBL10317 1.00 FASN (0.63) FASNPIK3CDBRD4
SCHEMBL10318 1.00 FASN (0.63) FASNPIK3CDBRD4
SCHEMBL10838 0.94 FASN (0.55) FASNPIK3CDBRD4
SCHEMBL10837 0.94 FASN (0.55) FASNPIK3CDBRD4
SCHEMBL22259634 0.94 FASN (0.55) FASNPIK3CDBRD4
SCHEMBL22220836 0.91 FASN (0.64) FASNPIK3CDBRD4
SCHEMBL10522 0.91 FASN (0.64) FASNPIK3CDBRD4
SCHEMBL10521 0.91 FASN (0.64) FASNPIK3CDBRD4
SCHEMBL22259641 0.89 FASN (0.63) FASNPIK3CDBRD4
SCHEMBL10805 0.89 FASN (0.63) FASNPIK3CDBRD4

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