SCHEMBL15526201

SCHEMBL15526201

COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCCN)c(C)c3C)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.56
PARP1 P09874 2/20 0.54
BRD1 O95696 1/20 0.51
BRD2 P25440 1/20 0.51
IL17A Q16552 1/20 0.51
HDAC1 Q13547 9/20 0.49
HDAC3 O15379 7/20 0.49
HDAC4 P56524 7/20 0.49
HDAC7 Q8WUI4 7/20 0.49
HDAC2 Q92769 7/20 0.49
HDAC10 Q969S8 7/20 0.49
HDAC11 Q96DB2 7/20 0.49
HDAC8 Q9BY41 7/20 0.49
HDAC6 Q9UBN7 7/20 0.49
HDAC9 Q9UKV0 7/20 0.49
HDAC5 Q9UQL6 7/20 0.49

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
SCHEMBL15551932 0.88 BRD4 (0.54) BRD4PARP1BRD1BRD2IL17A
SCHEMBL30434847 0.84 BRD4 (0.60) BRD4PARP1BRD1BRD2IL17A
SCHEMBL146582 0.84 BRD4 (0.60) BRD4PARP1BRD1BRD2IL17A
SCHEMBL16516491 0.83 BRD4 (0.61) BRD4PARP1BRD1BRD2IL17A
SCHEMBL30052871 0.82 BRD4 (0.73) BRD4PARP1BRD1BRD2IL17A
SCHEMBL146056 0.82 BRD4 (0.73) BRD4PARP1BRD1BRD2IL17A
SCHEMBL15526229 0.81 BRD4 (0.50) BRD4PARP1BRD1BRD2IL17A
SCHEMBL4553960 0.81 BRD4 (0.48) BRD4PARP1BRD1BRD2IL17A
SCHEMBL4564115 0.80 BRD4 (0.47) BRD4PARP1BRD1BRD2IL17A
SCHEMBL121709 0.77 BRD4 (0.66) BRD4PARP1BRD1BRD2IL17A

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-2013156869-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 WO disclosed