SCHEMBL365255

SCHEMBL365255

CN(C)C(=O)Oc1cc(O)c2c(C(N)=O)c3ccccn3c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.37
APAF1 O14727 1/20 0.37
MAPT P10636 1/20 0.37
G6PD P11413 1/20 0.37
PABPC1 P11940 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
PKM P14618 1/20 0.36
LMNA P02545 3/20 0.35
ACHE P22303 3/20 0.35
MAOB P27338 1/20 0.35
BCHE P06276 2/20 0.34
NCEH1 Q6PIU2 1/20 0.34
BAZ2B Q9UIF8 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
SCHEMBL365212 0.90 KMT2A (0.39) RAB9AKMT2AALDH1A1MEN1KDM4E
SCHEMBL367615 0.88 IDO1 (0.42) RAB9AKMT2AALDH1A1MEN1KDM4E
SCHEMBL365489 0.87 KMT2A (0.36) RAB9AKMT2AALDH1A1MEN1PKM
SCHEMBL367282 0.81 KMT2A (0.47) RAB9AKMT2AALDH1A1MEN1KDM4E
SCHEMBL365406 0.81 STS (0.39) KMT2AALDH1A1MEN1KDM4EAPAF1
SCHEMBL364537 0.80 BAZ2B (0.38) KMT2AALDH1A1MEN1KDM4EAPAF1
SCHEMBL366611 0.80 ACHE (0.38) KMT2AALDH1A1MEN1KDM4EAPAF1
SCHEMBL365836 0.80 MAPT (0.38) RAB9AKMT2AALDH1A1MEN1KDM4E
SCHEMBL366480 0.79 ACHE (0.39) RAB9AKMT2AALDH1A1MEN1KDM4E
SCHEMBL365263 0.78 EPHX1 (0.47) RAB9AKMT2AMEN1KDM4EMAOB

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