SCHEMBL15419451

SCHEMBL15419451

C#COc1c(C)cc(-c2nc3cc(OC)cc(OC)c3c(=O)[nH]2)cc1C

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.66
IL17A Q16552 1/20 0.61
HDAC1 Q13547 8/20 0.59
HDAC3 O15379 6/20 0.58
HDAC4 P56524 6/20 0.58
HDAC7 Q8WUI4 6/20 0.58
HDAC2 Q92769 6/20 0.58
HDAC10 Q969S8 6/20 0.58
HDAC11 Q96DB2 6/20 0.58
HDAC8 Q9BY41 6/20 0.58
HDAC6 Q9UBN7 6/20 0.58
HDAC9 Q9UKV0 6/20 0.58
HDAC5 Q9UQL6 6/20 0.58
PARP1 P09874 1/20 0.57
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47

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
SCHEMBL30434520 0.89 BRD4 (0.73) BRD4IL17AHDAC1HDAC3HDAC4
SCHEMBL146190 0.89 BRD4 (0.73) BRD4IL17AHDAC1HDAC3HDAC4
SCHEMBL26241241 0.85 BRD4 (0.68) BRD4IL17AHDAC1HDAC3HDAC4
SCHEMBL147943 0.83 BRD4 (0.69) BRD4IL17AHDAC1HDAC3HDAC4
SCHEMBL348541 0.83 BRD4 (0.66) BRD4IL17AHDAC1HDAC3HDAC4
SCHEMBL30054393 0.83 BRD4 (0.69) BRD4IL17AHDAC1HDAC3HDAC4
SCHEMBL15553157 0.83 BRD4 (0.69) BRD4IL17AHDAC1HDAC3HDAC4
SCHEMBL27851658 0.83 BRD4 (0.78) BRD4IL17AHDAC1HDAC3HDAC4
SCHEMBL348295 0.82 BRD4 (0.70) BRD4IL17AHDAC1HDAC3HDAC4
Apabetalone SCHEMBL145019 0.82 BRD4 (0.84) BRD4IL17AHDAC1HDAC3HDAC4

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 claimed