SCHEMBL5140691

SCHEMBL5140691

N#Cc1cc(Br)c2o[c]nc2c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
TTR P02766 1/20 0.41
ALB P02768 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.36

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
SCHEMBL5337212 0.68 CYP2A6 (0.42)
SCHEMBL28277235 0.68 HTT (0.42) MEN1TTRALBKMT2AHTT
SCHEMBL16391314 0.68 MEN1 (0.40) MEN1TTRALBKMT2AHTT
SCHEMBL11189202 0.64 CYP2A6 (0.38)
SCHEMBL28548627 0.62 MEN1 (0.45) MEN1TTRALBKMT2AHTT
SCHEMBL28438701 0.61 TTR (0.61) MEN1TTRALBKMT2AHTT
SCHEMBL17188021 0.61 HTT (0.46) MEN1TTRALBKMT2AHTT
SCHEMBL18585266 0.61 CYP2A6 (0.50) MEN1TTRALBKMT2AHTT
SCHEMBL25242609 0.60 MEN1 (0.42) MEN1TTRALBKMT2AHTT
SCHEMBL18585154 0.60 XDH (0.45) MEN1TTRALBKMT2AHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954287-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 WO disclosed