SCHEMBL367034

SCHEMBL367034

CCOC(=O)c1c2ccccc2n2cc(OCc3ccc(C#N)cc3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.48
RAB9A P51151 1/20 0.47
MAOB P27338 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
APAF1 O14727 1/20 0.43
ALDH1A1 P00352 1/20 0.43
G6PD P11413 1/20 0.43
PABPC1 P11940 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
KMT2A Q03164 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
ALKBH1 Q13686 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
SMPD1 P17405 1/20 0.39
BACE1 P56817 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL366360 0.90 FFAR1 (0.47) ELANEMAOBMAPTKDM4EMEN1
SCHEMBL364784 0.89 KDM4E (0.47) ELANEMAOBMAPTKDM4EMEN1
SCHEMBL366971 0.89 MAPT (0.48) MAPTKDM4EMEN1APAF1ALDH1A1
SCHEMBL364674 0.87 KDM4E (0.48) ELANERAB9AMAOBMAPTKDM4E
SCHEMBL4477445 0.86 RXRA (0.50) RAB9AMAPTKDM4EMEN1APAF1
SCHEMBL367033 0.85 KMT2A (0.62) ELANERAB9AMAOBMAPTKDM4E
SCHEMBL364519 0.84 MAPT (0.43) ELANERAB9AMAOBMAPTKDM4E
SCHEMBL365359 0.83 ALDH1A1 (0.47) ELANEMAPTKDM4EMEN1APAF1
SCHEMBL364182 0.82 MAOB (0.46) ELANEMAOBMAPTKDM4EMEN1
SCHEMBL365355 0.82 ALDH1A1 (0.44) ELANERAB9AMAPTKDM4EMEN1

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