SCHEMBL1708186

SCHEMBL1708186

CC(=O)O[C@H]1c2ccc(N=Cc3cccc(Br)c3O)cc2OC1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.42
GAA P10253 5/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
PLA2G1B P04054 2/20 0.41
ATG4B Q9Y4P1 2/20 0.41
KDM4E B2RXH2 3/20 0.37
HSP90AA1 P07900 3/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
GFER P55789 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 2/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 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
SCHEMBL15211580 0.72 POLB (0.39) ALDH1A1MEN1KMT2AMAPK1TDP1
SCHEMBL530687 0.72 POLB (0.39) ALDH1A1MEN1KMT2AMAPK1TDP1
SCHEMBL435247 0.72 POLB (0.39) ALDH1A1MEN1KMT2AMAPK1TDP1
SCHEMBL15211525 0.70 POLB (0.34) MEN1KMT2APOLB
SCHEMBL10010062 0.69 FFAR1 (0.48) MAPTGAAMEN1KMT2APLA2G1B
SCHEMBL10010057 0.69 FFAR1 (0.48) MAPTGAAMEN1KMT2APLA2G1B
SCHEMBL1707736 0.69 POLB (0.38) GAAALDH1A1MEN1KMT2APOLB
SCHEMBL1708581 0.67 POLB (0.31) MAPTTP53MEN1KMT2AKDM4E
SCHEMBL15211128 0.66 POLB (0.40) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL14337417 0.65 SIRT2 (0.56) MAPTGAAALDH1A1MEN1KMT2A

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
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed