SCHEMBL366480

SCHEMBL366480

CCOc1cccc(COc2cc(OC(=O)N(C)C)cc3c2c(C(N)=O)c2ccccn23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
ALDH1A1 P00352 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
KMT2A Q03164 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
PLK1 P53350 1/20 0.37
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 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
SCHEMBL365592 0.92 MRGPRX4 (0.39) ACHEKDM4EMEN1APAF1ALDH1A1
SCHEMBL365924 0.92 ACHE (0.42) ACHEKDM4EMEN1APAF1ALDH1A1
SCHEMBL365836 0.91 MAPT (0.38) KDM4EMEN1APAF1ALDH1A1MAPT
SCHEMBL366617 0.86 MEN1 (0.45) ACHEKDM4EMEN1ALDH1A1MAPT
SCHEMBL366373 0.85 MAPT (0.37) ACHEKDM4EMEN1APAF1ALDH1A1
SCHEMBL365168 0.84 ACHE (0.41) ACHELTB4RLTB4R2CYP2D6
SCHEMBL365768 0.83 ALOX5 (0.38) KDM4EMEN1APAF1ALDH1A1MAPT
SCHEMBL366611 0.83 ACHE (0.38) ACHEKDM4EMEN1APAF1ALDH1A1
SCHEMBL365489 0.81 KMT2A (0.36) MEN1ALDH1A1KMT2ARAB9APKM
SCHEMBL366481 0.80 ACHE (0.39) ACHEPLK1LTB4RLTB4R2SMN1; SMN2

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