SCHEMBL365836

SCHEMBL365836

CCOc1ccc(COc2cc(OC(=O)N(C)C)cc3c2c(C(N)=O)c2ccccn23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 3/20 0.38
SAE1 Q9UBE0 2/20 0.38
UBA2 Q9UBT2 2/20 0.38
APAF1 O14727 1/20 0.38
G6PD P11413 1/20 0.38
PABPC1 P11940 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
CNR2 P34972 1/20 0.37
TP53 P04637 3/20 0.37
THRB P10828 2/20 0.37
LMNA P02545 6/20 0.36
PLK1 P53350 1/20 0.35
ALOX5 P09917 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 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
SCHEMBL365768 0.92 ALOX5 (0.38) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL366373 0.91 MAPT (0.37) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL366480 0.91 ACHE (0.39) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL365985 0.85 MEN1 (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL365924 0.85 ACHE (0.42) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL366850 0.83 MAPT (0.37) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL365592 0.83 MRGPRX4 (0.39) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL366611 0.83 ACHE (0.38) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL365489 0.82 KMT2A (0.36) ALDH1A1MEN1KMT2ARAB9A
SCHEMBL365914 0.81 MAPT (0.34) MAPTALDH1A1MEN1KMT2AKDM4E

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