SCHEMBL365786

SCHEMBL365786

CCOc1ccc(CCOc2cc(OCC#N)cn3c2c(C(N)=O)c2ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
OPRM1 P35372 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HTT P42858 1/20 0.35
PLA2G4A P47712 1/20 0.35
POLB P06746 1/20 0.35
SLC2A1 P11166 1/20 0.34
LMNA P02545 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
SCHEMBL366565 0.92 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AMEN1PSEN1
SCHEMBL364641 0.92 PLK1 (0.38) ALDH1A1MAPTKMT2APSEN1PSEN2
SCHEMBL367249 0.92 MEN1 (0.36) MAPTKMT2AMEN1PSEN1PSEN2
SCHEMBL366374 0.85 ALDH1A1 (0.38) ALDH1A1MAPTKMT2AMEN1ADORA3
SCHEMBL365402 0.85 PSEN1 (0.38) ALDH1A1MAPTKMT2AMEN1PSEN1
SCHEMBL366016 0.85 MAPK12 (0.39) HTTLMNA
SCHEMBL366073 0.85 ALKBH1 (0.36) ALDH1A1MAPTKMT2AMEN1PSEN1
SCHEMBL367347 0.84 KMT2A (0.38) ALDH1A1MAPTKMT2AMEN1PSEN1
SCHEMBL367225 0.82 KMT2A (0.40) ALDH1A1MAPTKMT2AMEN1PSEN1
SCHEMBL365785 0.80 ALDH1A1 (0.38) ALDH1A1MAPTKMT2AMEN1PSEN1

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