SCHEMBL28607385

SCHEMBL28607385

COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)Cl

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.69
BRD2 P25440 20/20 0.69
BRD3 Q15059 20/20 0.69

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
SCHEMBL14740769 0.83 BRD4 (0.74) BRD4BRD2BRD3
SCHEMBL16771417 0.80 BRD4 (1.00) BRD4BRD2BRD3
SCHEMBL8387039 0.76 BRD4 (0.55) BRD4BRD2BRD3
SCHEMBL16758351 0.76 BRD4 (0.77) BRD4BRD2BRD3
SCHEMBL8326046 0.76 ERN1 (0.72) BRD4BRD2BRD3
SCHEMBL23997128 0.74 BRD4 (0.53) BRD4BRD2BRD3
SCHEMBL15980908 0.73 BRD4 (0.76) BRD4BRD2BRD3
SCHEMBL15653363 0.73 ALDH1A1 (0.56) BRD4BRD2BRD3
SCHEMBL21609042 0.73 MAPT (0.49)
SCHEMBL14740758 0.72 BRD4 (1.00) BRD4BRD2BRD3

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
CN-109912584-B BRD4 protein inhibitor with anti-tumor activity and preparation method and application thereof 中国药科大学 2021-08-13 CN disclosed