SCHEMBL461145

SCHEMBL461145

COc1cccc(Cn2ccc(O)cc2=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
TP53 P04637 3/20 0.59
LMNA P02545 1/20 0.59
LPO P22079 3/20 0.57
CMA1 P23946 1/20 0.56
CD74 P04233 3/20 0.53
MIF P14174 3/20 0.53
PTGER3 P43115 1/20 0.49
KMT2A Q03164 2/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL32665427 0.83 MAPT (0.59) MAPTTP53LMNALPOCMA1
SCHEMBL14575722 0.83 PTGER4 (0.57) MAPTTP53LMNALPOCMA1
SCHEMBL18860613 0.83 MAPT (0.55) MAPTTP53LMNALPOCMA1
SCHEMBL28817529 0.81 MAPT (0.63) MAPTTP53LMNALPOCMA1
SCHEMBL1523244 0.79 MAPK14 (0.62) TP53LMNAKMT2AHDAC8HDAC6
SCHEMBL4378877 0.78 MAPK14 (0.49) LMNAKMT2AMEN1MAPK14
SCHEMBL17392844 0.78 MAPK14 (0.70) MAPTTP53LMNALPOCMA1
SCHEMBL30799299 0.78 MAPT (0.52) MAPTTP53LMNALPOCMA1
SCHEMBL460146 0.77 MAPT (0.55) MAPTTP53LMNALPOCMA1
SCHEMBL13678575 0.77 MAPT (0.62) MAPTTP53LMNALPOCMA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012011707-A2 SUBSTITUTED PYRIDINONE DERIVATIVES AND METHODS FOR MANUFACTURING THE SAME HYUNDAI PHARM CO., LTD. (KR) 2012-01-26 WO disclosed