SCHEMBL988754

SCHEMBL988754

NNN1CC2=C(CCOc3cc(Br)ccc32)S1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34
MAOB P27338 2/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
CA2 P00918 1/20 0.30

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
SCHEMBL989505 0.90 PIK3CA (0.35) LMNAMAPTHTTBLM
SCHEMBL988556 0.83 LMNA (0.36) LMNAMAPTHTTBLMMAOB
SCHEMBL1516943 0.82 LMNA (0.37) LMNAMAPTHTTBLMMAOB
SCHEMBL1516787 0.78 PRMT5 (0.34) LMNAMAPTHTTBLMMAOB
SCHEMBL1516820 0.78 PRMT5 (0.35) LMNAMAPTHTTBLMMAOB
SCHEMBL1516808 0.78 LMNA (0.37) LMNAMAPTHTTBLMMAOB
SCHEMBL1516837 0.78 LMNA (0.37) LMNAMAPTHTTBLMMAOB
SCHEMBL4061855 0.78 LMNA (0.34) LMNAMAPTHTTBLMMAOB
SCHEMBL1516826 0.78 LMNA (0.34) LMNAMAPTHTTBLMMAOB
SCHEMBL988493 0.77 PRMT5 (0.35) LMNAMAPTHTTBLMMAOB

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-2276767-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-01-26 EP disclosed
WO-2009123971-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-08 WO disclosed