SCHEMBL4426592

SCHEMBL4426592

COc1cccc2[nH]c(C(=O)NCCOc3ccc(C(N)=O)c(O)c3)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
KDM4E B2RXH2 4/20 0.50
ATM Q13315 1/20 0.50
DUSP3 P51452 1/20 0.50
PTPN5 P54829 1/20 0.50
PTPN11 Q06124 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50

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
SCHEMBL4554027 0.82 KDM4E (0.60) POLBRAB9ANPC1HDAC3HDAC1
SCHEMBL445848 0.81 HDAC3 (0.62) POLBRAB9ANPC1HDAC3HDAC1
SCHEMBL4253730 0.79 HDAC3 (0.59) POLBRAB9ANPC1HDAC3HDAC1
SCHEMBL4432409 0.77 KMT2A (0.55) POLBRAB9ANPC1HDAC1HDAC2
SCHEMBL24448134 0.74 POLB (0.70) POLBRAB9ANPC1HDAC3HDAC1
SCHEMBL26179123 0.73 RAB9A (0.70) POLBRAB9ANPC1HDAC3HDAC1
SCHEMBL24020783 0.73 HDAC3 (0.74) POLBRAB9ANPC1HDAC3HDAC1
SCHEMBL24019729 0.73 RAB9A (0.69) POLBRAB9ANPC1HDAC3HDAC1
SCHEMBL24447653 0.72 FLT3 (0.66) POLBRAB9ANPC1HDAC3HDAC1
SCHEMBL29394458 0.72 FLT3 (0.66) POLBRAB9ANPC1HDAC3HDAC1

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