SCHEMBL5801006

SCHEMBL5801006

COc1ccccc1C(c1c[nH]c(=O)[nH]c1=O)c1c[nH]c(=O)[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATAD2 Q6PL18 1/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
DPYD Q12882 1/20 0.36
CA12 O43570 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ACHE P22303 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
SCHEMBL2066662 0.75 CA1 (0.63) KMT2AALDH1A1LMNAPOLBMEN1
SCHEMBL5801042 0.75 ALDH1A1 (0.41) KMT2AALDH1A1MEN1DPYDCA12
SCHEMBL5801051 0.75 MEN1 (0.51) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL16652648 0.74 ALDH1A1 (0.54) KMT2AALDH1A1LMNAPOLBMEN1
SCHEMBL102177 0.72 ATAD2 (0.52) KMT2AALDH1A1LMNAMAPTATAD2
SCHEMBL24145206 0.71 MAPT (0.62) KMT2AALDH1A1MEN1MAPTNPSR1
SCHEMBL31511306 0.71 MAPT (0.62) KMT2AALDH1A1MEN1MAPTNPSR1
SCHEMBL38658521 0.71 ATAD2 (0.47) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL5797950 0.70 MEN1 (0.55) KMT2AALDH1A1LMNAPOLBMEN1
SCHEMBL1918404 0.68 ATAD2 (0.52) KMT2AALDH1A1LMNAMEN1MAPT

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-2006070292-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (US) 2006-07-06 WO disclosed