SCHEMBL367283

SCHEMBL367283

CN(C)C(=O)Oc1ccc2c(C(N)=O)c3ccccc3n2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
EGFR P00533 2/20 0.43
SRC P12931 2/20 0.43
PKM P14618 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
NCEH1 Q6PIU2 5/20 0.39
LMNA P02545 4/20 0.38
ACHE P22303 3/20 0.38
BCHE P06276 2/20 0.38
GLA P06280 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL366828 0.89 PKM (0.46) RAB9AEGFRSRCPKMALDH1A1
SCHEMBL364802 0.83 KDM4E (0.49) RAB9APKMALDH1A1KMT2ALMNA
SCHEMBL364594 0.83 EGFR (0.44) EGFRSRCALDH1A1KMT2ALMNA
SCHEMBL365256 0.81 EGFR (0.40) RAB9AEGFRSRCPKMALDH1A1
SCHEMBL367282 0.81 KMT2A (0.47) RAB9AEGFRSRCPKMALDH1A1
SCHEMBL366406 0.80 GABRP (0.41) RAB9AEGFRSRCPKMALDH1A1
SCHEMBL365490 0.79 NCEH1 (0.39) RAB9AEGFRSRCPKMKMT2A
SCHEMBL365640 0.79 KMT2A (0.43) RAB9AEGFRSRCPKMALDH1A1
SCHEMBL366032 0.77 PSEN1 (0.38) EGFRSRCALDH1A1KMT2ALMNA
SCHEMBL365101 0.75 KMT2A (0.51) RAB9AKMT2ATSHRNPC1GAA

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