SCHEMBL366373

SCHEMBL366373

CCOc1ccc(CCOc2cc(OC(=O)N(C)C)cc3c2c(C(N)=O)c2ccccn23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SAE1 Q9UBE0 2/20 0.37
UBA2 Q9UBT2 2/20 0.37
APAF1 O14727 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
TP53 P04637 5/20 0.37
LMNA P02545 4/20 0.37
RXFP1 Q9HBX9 2/20 0.37
CNR2 P34972 1/20 0.36
THRB P10828 2/20 0.36
POLB P06746 1/20 0.35
LTB4R Q15722 3/20 0.34
LTB4R2 Q9NPC1 3/20 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
SCHEMBL366850 0.92 MAPT (0.37) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL366611 0.92 ACHE (0.38) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL365924 0.92 ACHE (0.42) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL365836 0.91 MAPT (0.38) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL365914 0.90 MAPT (0.34) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL366815 0.86 MEN1 (0.45) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL365188 0.85 CYP11B1 (0.39) ALDH1A1KMT2ALMNALTB4RLTB4R2
SCHEMBL366480 0.85 ACHE (0.39) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL365785 0.85 ALDH1A1 (0.38) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL365168 0.84 ACHE (0.41) LTB4RLTB4R2ACHE

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