SCHEMBL15435696

SCHEMBL15435696

COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCNc4ccccc4)c(C)c3)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.67
PARP1 P09874 2/20 0.67
HDAC1 Q13547 9/20 0.65
IL17A Q16552 1/20 0.64
HDAC3 O15379 7/20 0.64
HDAC4 P56524 7/20 0.64
HDAC7 Q8WUI4 7/20 0.64
HDAC2 Q92769 7/20 0.64
HDAC10 Q969S8 7/20 0.64
HDAC11 Q96DB2 7/20 0.64
HDAC8 Q9BY41 7/20 0.64
HDAC6 Q9UBN7 7/20 0.64
HDAC9 Q9UKV0 7/20 0.64
HDAC5 Q9UQL6 7/20 0.64
BRD1 O95696 1/20 0.51
BRD2 P25440 1/20 0.51

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
SCHEMBL121797 0.88 BRD4 (0.66) BRD4PARP1HDAC1IL17AHDAC3
SCHEMBL30434646 0.88 BRD4 (0.66) BRD4PARP1HDAC1IL17AHDAC3
SCHEMBL348436 0.88 BRD4 (0.66) BRD4PARP1HDAC1IL17AHDAC3
SCHEMBL120797 0.87 BRD4 (0.71) BRD4PARP1HDAC1IL17AHDAC3
SCHEMBL30433801 0.87 BRD4 (0.71) BRD4PARP1HDAC1IL17AHDAC3
SCHEMBL348814 0.86 BRD4 (0.63) BRD4PARP1HDAC1IL17AHDAC3
SCHEMBL347362 0.86 BRD4 (0.68) BRD4PARP1HDAC1IL17AHDAC3
SCHEMBL30434474 0.86 BRD4 (0.67) BRD4PARP1HDAC1IL17AHDAC3
SCHEMBL121626 0.86 BRD4 (0.67) BRD4PARP1HDAC1IL17AHDAC3
SCHEMBL120806 0.85 BRD4 (0.64) BRD4PARP1HDAC1IL17AHDAC3

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
EP-2118074-B1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP (CA) 2014-01-22 EP disclosed