SCHEMBL19930855

SCHEMBL19930855

CSCc1ccc(OCC(F)(F)F)c(-c2cc(Cl)c(=O)n(C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.46
SCN9A Q15858 2/20 0.34
SCN5A Q14524 1/20 0.34
PTGES O14684 2/20 0.33
ALDH1A1 P00352 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL19931293 0.88 BRD4 (0.46) BRD4SCN9AALDH1A1
SCHEMBL19931086 0.88 BRD4 (0.55) BRD4BRD9
SCHEMBL29848964 0.84 BRD4 (0.54) BRD4SCN9ASCN5A
SCHEMBL16649961 0.84 BRD4 (0.54) BRD4SCN9ASCN5A
SCHEMBL21998388 0.84 BRD4 (0.44) BRD4SCN9ASCN5APTGESADRA1D
SCHEMBL19931035 0.80 BRD4 (0.44) BRD4BRD9
SCHEMBL19931466 0.78 BRD4 (0.56) BRD4BRD9
SCHEMBL19931266 0.77 BRD4 (0.75) BRD4BRD9
SCHEMBL19930838 0.76 BRD4 (0.40) BRD4
SCHEMBL19930766 0.75 BRD4 (0.42) BRD4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4134364-A2 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc. (US) 2023-02-15 EP disclosed
EP-3640241-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-04-22 EP disclosed
EP-3290407-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc (US) 2018-03-07 EP disclosed