SCHEMBL367249

SCHEMBL367249

CCOc1cccc(CCOc2cc(OCC#N)cn3c2c(C(N)=O)c2ccccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
ICMT O60725 3/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
HTR6 P50406 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL367347 0.92 KMT2A (0.38) MEN1USP2POLBKMT2AICMT
SCHEMBL365786 0.92 ALDH1A1 (0.38) MEN1POLBKMT2ALMNAMAPT
SCHEMBL364641 0.90 PLK1 (0.38) POLBKMT2AMAPTPSEN1PSEN2
SCHEMBL365925 0.86 ACHE (0.42) ICMT
SCHEMBL366915 0.85 PSEN1 (0.37) MEN1USP2POLBKMT2ALMNA
SCHEMBL366016 0.85 MAPK12 (0.39) LMNAHTT
SCHEMBL366565 0.84 ALDH1A1 (0.39) MEN1POLBKMT2AMAPTPSEN1
SCHEMBL366073 0.83 ALKBH1 (0.36) MEN1POLBKMT2AMAPTPSEN1
SCHEMBL367248 0.81 ALDH1A1 (0.37) MEN1POLBKMT2AICMTLMNA
SCHEMBL367225 0.81 KMT2A (0.40) MEN1KMT2ALMNAMAPTPSEN1

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
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed