SCHEMBL4554027

SCHEMBL4554027

COc1ccc2[nH]c(C(=O)NCCOc3ccc(C(N)=O)c(O)c3)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.60
MAPT P10636 4/20 0.60
ALDH1A1 P00352 3/20 0.60
NPC1 O15118 3/20 0.57
RAB9A P51151 2/20 0.57
HDAC3 O15379 4/20 0.54
HDAC1 Q13547 4/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PDGFRB P09619 1/20 0.48
PDGFRA P16234 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
SCHEMBL4426592 0.82 POLB (0.56) KDM4EMAPTNPC1RAB9AHDAC3
SCHEMBL444819 0.80 KDM4E (0.64) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL4426499 0.78 CLK1 (0.57)
SCHEMBL4250970 0.77 KDM4E (0.61) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL6038176 0.75 KDM4E (0.77) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL13753883 0.75 KDM4E (0.77) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL22518517 0.74 PDGFRB (0.70) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL21446848 0.74 KDM4E (0.72) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL6422585 0.74 CFD (0.56) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL1429381 0.73 PDGFRB (0.77) KDM4EALDH1A1NPC1RAB9AHDAC6

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-2099442-A1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY PHARMACYCLICS, INC. (US) 2009-09-16 EP disclosed
WO-2008082856-A1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY PHARMACYCLICS, INC. (US) 2008-07-10 WO disclosed