SCHEMBL20159926

SCHEMBL20159926

CCOC(=O)Nc1cc(-c2cc(NS(=O)(=O)CC)cnc2Oc2ccc(F)cc2F)nn2c(C)nnc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 2/20 0.55
BRD4 O60885 16/20 0.51
BRD9 Q9H8M2 2/20 0.50
TRIM24 O15164 1/20 0.50
BRD1 O95696 1/20 0.50
TAF1 P21675 1/20 0.50
BRD2 P25440 1/20 0.50
SMARCA4 P51532 1/20 0.50
BPTF Q12830 1/20 0.50
BRDT Q58F21 1/20 0.50
ATAD2 Q6PL18 1/20 0.50
PBRM1 Q86U86 1/20 0.50
TAF1L Q8IZX4 1/20 0.50
CREBBP Q92793 1/20 0.50
KAT2B Q92831 1/20 0.50
CECR2 Q9BXF3 1/20 0.50
BRD7 Q9NPI1 1/20 0.50
BAZ2A Q9UIF9 1/20 0.50
BRPF3 Q9ULD4 1/20 0.50
EP300 Q09472 1/20 0.38

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
SCHEMBL20160243 0.88 BRPF1 (0.51) BRPF1BRD4BRD9TRIM24BRD1
SCHEMBL20159924 0.83 BRPF1 (0.46) BRPF1BRD4BRD9TRIM24BRD1
SCHEMBL20159868 0.83 BRD9 (0.51) BRPF1BRD4BRD9TRIM24BRD1
SCHEMBL20160107 0.81 BRD4 (0.48) BRPF1BRD4BRD2BRDTEP300
SCHEMBL20159918 0.80 BRPF1 (0.53) BRPF1BRD4BRD9TRIM24BRD1
SCHEMBL20160303 0.79 BRD4 (0.58) BRD4BRD2BRDTEP300
SCHEMBL20159922 0.78 BRD4 (0.47) BRD4BRD2BRDTEP300
SCHEMBL20160261 0.78 BRD4 (0.58) BRD4BRD2BRDTEP300
SCHEMBL20160077 0.77 BRD4 (0.49) BRD4BRD2BRDTEP300
SCHEMBL20160053 0.77 BRD4 (0.53) BRD4BRD2BRDTEP300

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-2018086585-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 WO disclosed