SCHEMBL365461

SCHEMBL365461

C#CC(O)COC(=O)c1c2ccccc2n2cc(OCC#N)ccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
G6PD P11413 1/20 0.33
PABPC1 P11940 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
KMT2A Q03164 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 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
SCHEMBL364412 0.89 ALDH1A1 (0.35) MAPTKDM4EALDH1A1MEN1APAF1
SCHEMBL366792 0.88 ALDH1A1 (0.36) MAPTKDM4EALDH1A1MEN1APAF1
SCHEMBL364626 0.87 ALDH1A1 (0.39) MAPTKDM4EALDH1A1MEN1APAF1
SCHEMBL365513 0.87 NPC1 (0.40) MAPTKDM4EALDH1A1MEN1APAF1
SCHEMBL364902 0.86 ALDH1A1 (0.40) MAPTKDM4EALDH1A1MEN1APAF1
SCHEMBL361826 0.85 ALDH1A1 (0.33) MAPTKDM4EALDH1A1MEN1APAF1
SCHEMBL365460 0.85 ALDH1A1 (0.50) MAPTKDM4EALDH1A1MEN1APAF1
SCHEMBL364869 0.84 KDM4E (0.35) MAPTKDM4EALDH1A1MEN1APAF1
SCHEMBL365093 0.83 ACHE (0.38) MAPTKDM4EALDH1A1MEN1APAF1
SCHEMBL365124 0.83 FLT3 (0.35) MAPTKDM4EALDH1A1MEN1APAF1

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-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed