SCHEMBL8338992

SCHEMBL8338992

CN(C)CCC(=O)Nc1ccc(C=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 11/20 0.56
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
SIRT1 Q96EB6 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
LTA4H P09960 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL22106263 0.91 LTA4H (0.55) TERTTHRATHRBSIRT1HDAC3
SCHEMBL1916615 0.84 POLB (0.56) KDM4EMAPTTP53
SCHEMBL5779530 0.83 MAPT (0.58) KDM4EMAPTHRH3
SCHEMBL6004364 0.81 TP53 (0.68) THRBKDM4EMAPTHDAC3HDAC4
SCHEMBL14174770 0.81 POLB (0.64) TERTTHRATHRBSIRT1HDAC3
SCHEMBL11918281 0.80 MAPT (0.53) KDM4EMAPTTP53
SCHEMBL14216227 0.80 TERT (0.59) TERTTHRATHRBSIRT1HDAC3
SCHEMBL1429661 0.80 TERT (0.59) TERTTHRATHRBSIRT1MAPT
SCHEMBL17633052 0.80 HDAC2 (0.51) THRATHRBSIRT1MAPTHDAC3
SCHEMBL10122853 0.80 ICMT (0.60) TERTMAPTHDAC3HDAC4HDAC1

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-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed