SCHEMBL23798993

SCHEMBL23798993

COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1C2CCC1CN(S)C2

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 14/20 0.57
BRD4 O60885 12/20 0.57
BRD7 Q9NPI1 10/20 0.57
BRD2 P25440 5/20 0.57
CYP3A4 P08684 1/20 0.38
TAF1 P21675 1/20 0.37
TGFBR1 P36897 1/20 0.37
BRPF1 P55201 1/20 0.37
ACVR1 Q04771 1/20 0.37
BPTF Q12830 1/20 0.37
TAF1L Q8IZX4 1/20 0.37
CREBBP Q92793 1/20 0.37
CECR2 Q9BXF3 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
ATAD2B Q9ULI0 1/20 0.37
CD274 Q9NZQ7 2/20 0.34
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL25091505 0.90 BRD9 (0.55) BRD9BRD4BRD7BRD2CYP3A4
SCHEMBL25092037 0.87 BRD9 (0.57) BRD9BRD4BRD7BRD2CYP3A4
Hydrochloric Acid SCHEMBL23783136 0.86 BRD9 (0.56) BRD9BRD4BRD7BRD2CYP3A4
SCHEMBL23783302 0.84 BRD4 (0.49) BRD9BRD4BRD7BRD2CYP3A4
SCHEMBL33531820 0.83 BRD9 (0.57) BRD9BRD4BRD7BRD2CYP3A4
SCHEMBL33530653 0.80 BRD9 (0.58) BRD9BRD4BRD7BRD2CYP3A4
SCHEMBL19869762 0.79 BRD9 (0.71) BRD9BRD4BRD7BRD2CYP3A4
SCHEMBL33532837 0.79 BRD9 (0.53) BRD9BRD4BRD7BRD2CYP3A4
SCHEMBL33532755 0.79 BRD9 (0.57) BRD9BRD4BRD7BRD2CYP3A4
SCHEMBL33532847 0.78 BRD4 (0.49) BRD9BRD4BRD7BRD2CYP3A4

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-2021178920-A1 COMPOUNDS FOR TARGETED DEGRADATION OF BRD9 C4 THERAPEUTICS, INC. (US) 2021-09-10 WO disclosed