SCHEMBL365212

SCHEMBL365212

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.38
LMNA P02545 3/20 0.36
IDO1 P14902 1/20 0.36
MAOB P27338 1/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
APAF1 O14727 1/20 0.35
G6PD P11413 1/20 0.35
PABPC1 P11940 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
ACHE P22303 4/20 0.35
BCHE P06276 2/20 0.35
NCEH1 Q6PIU2 1/20 0.35

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
SCHEMBL365255 0.90 RAB9A (0.37) KMT2AALDH1A1PKMRAB9ALMNA
SCHEMBL367615 0.89 IDO1 (0.42) KMT2AALDH1A1PKMRAB9ALMNA
SCHEMBL367733 0.86 KMT2A (0.38) KMT2AALDH1A1PKMRAB9ALMNA
SCHEMBL366827 0.81 KMT2A (0.45) KMT2AALDH1A1PKMRAB9ALMNA
SCHEMBL365188 0.80 CYP11B1 (0.39) KMT2AALDH1A1PKMLMNAACHE
SCHEMBL366115 0.80 CA1 (0.41) KMT2AALDH1A1IDO1MEN1KDM4E
SCHEMBL366789 0.80 IDO1 (0.38) KMT2AALDH1A1IDO1MEN1KDM4E
SCHEMBL365768 0.80 ALOX5 (0.38) KMT2AALDH1A1PKMRAB9ALMNA
SCHEMBL365592 0.78 MRGPRX4 (0.39) KMT2AALDH1A1PKMRAB9ALMNA
SCHEMBL367408 0.77 EPHX1 (0.51) KMT2ARAB9AMAOBMEN1KDM4E

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