SCHEMBL22259652

SCHEMBL22259652

O=C(C1CC1)N1CCC(Cn2c(-c3ccc(-c4ccc5[nH]ccc5c4)cc3)nc3cc(Br)c(F)cc32)C1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FASN P49327 18/20 0.61
MELK Q14680 1/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 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
SCHEMBL10905 1.00 FASN (0.61) FASNMELKACACBACACA
SCHEMBL10906 1.00 FASN (0.61) FASNMELKACACBACACA
SCHEMBL10853 0.88 FASN (0.64) FASNMELKACACBACACA
SCHEMBL10852 0.88 FASN (0.64) FASNMELKACACBACACA
SCHEMBL10597 0.88 FASN (0.64) FASNMELK
SCHEMBL22259551 0.88 FASN (0.64) FASNMELK
SCHEMBL10801 0.88 FASN (0.64) FASNMELKACACBACACA
SCHEMBL10800 0.88 FASN (0.64) FASNMELKACACBACACA
SCHEMBL10596 0.88 FASN (0.64) FASNMELK
SCHEMBL22259650 0.87 BRD4 (0.47) FASN

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