SCHEMBL22137692

SCHEMBL22137692

COc1cc(N2CCC(c3ccc(OCCN4[C@H](C)CN(C(C)=O)C[C@@H]4C)cc3)CC2)ncc1Br

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.63
AR P10275 2/20 0.43
KCNH2 Q12809 1/20 0.43
CCL2 P13500 2/20 0.39
TAF1 P21675 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
BRDT Q58F21 1/20 0.39
TAF1L Q8IZX4 1/20 0.39
CREBBP Q92793 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
QDPR P09417 1/20 0.39
MCHR1 Q99705 1/20 0.38
DRD3 P35462 2/20 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
SCHEMBL29455917 0.85 BRD4 (0.65) BRD4ARKCNH2CCL2TAF1
SCHEMBL22137697 0.85 BRD4 (0.67) BRD4ARKCNH2CCL2TAF1
SCHEMBL22137633 0.82 BRD4 (0.52) BRD4TAF1BRD9
SCHEMBL29455994 0.82 BRD4 (0.52) BRD4TAF1BRD9
SCHEMBL29455958 0.78 BRD4 (0.62) BRD4CCL2TAF1BRD2BRD3
SCHEMBL22137703 0.78 BRD4 (0.62) BRD4CCL2TAF1BRD2BRD3
SCHEMBL29455843 0.78 BRD4 (0.49) BRD4ARKCNH2CCL2TAF1
SCHEMBL19988067 0.77 BRD4 (1.00) BRD4ARKCNH2CCL2TAF1
SCHEMBL17477298 0.77 BRD4 (1.00) BRD4ARKCNH2CCL2TAF1
SCHEMBL19137924 0.77 BRD4 (1.00) BRD4ARKCNH2CCL2TAF1

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-2020132004-A1 BET INHIBITORS FOR MODULATING DUX4 EXPRESSION IN FSHD SAINT LOUIS UNIVERSITY (US) 2020-06-25 WO disclosed