SCHEMBL9987501

SCHEMBL9987501

CC(C)Oc1cc(O)cc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.42
TTR P02766 2/20 0.39
ALB P02768 2/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KAT6A Q92794 5/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33

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
SCHEMBL2467430 0.88 TTR (0.38) MGLLTTRALBMEN1KMT2A
SCHEMBL12127948 0.86 TTR (0.37) MGLLTTRALBMEN1KMT2A
SCHEMBL5233624 0.84 ALDH1A1 (0.42) MEN1KMT2AKAT6ACA12CA2
SCHEMBL23072580 0.81 ALDH1A1 (0.44) MGLLKAT6AALDH1A1
SCHEMBL10768894 0.80 CA12 (0.45) MEN1KMT2ACA12CA2CA9
SCHEMBL12127900 0.79 MGLL (0.42) MGLLTTRALBKAT6AALDH1A1
SCHEMBL1344294 0.79 ALDH1A1 (0.46) TTRALBMEN1KMT2ACA2
SCHEMBL12127371 0.78 KCNH2 (0.43) MGLLSCN2ASCN10AGAASMN1; SMN2
SCHEMBL2656346 0.78 TTR (0.35) MGLLTTRALBMEN1KMT2A
SCHEMBL12332162 0.78 GRIN2D (0.33) MGLLTTRALBGRIN2DGRIN3B

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-2011158149-A1 2-(3,5-DISUBSTITUTEDPHENYL)PYRIMIDIN-4(3H)-ONE DERIVATIVES PFIZER INC. (US) 2011-12-22 WO disclosed