SCHEMBL30574602

SCHEMBL30574602

CC1CCC(Nc2ccc(S(=O)(=O)C3CC3)cc2-c2cn(C)c(=O)c3[nH]ccc23)CC1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.74

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
SCHEMBL20384402 0.91 BRD4 (0.71) BRD4
SCHEMBL20384335 0.89 BRD4 (0.74) BRD4
SCHEMBL20384309 0.88 BRD4 (0.77) BRD4
SCHEMBL20384602 0.87 BRD4 (0.70) BRD4
SCHEMBL30574600 0.86 BRD4 (0.55) BRD4
SCHEMBL30574601 0.86 BRD4 (0.55) BRD4
SCHEMBL20384192 0.85 BRD4 (0.71) BRD4
SCHEMBL15067363 0.85 BRD4 (1.00) BRD4
SCHEMBL20384509 0.85 BRD4 (0.67) BRD4
SCHEMBL20384286 0.84 BRD4 (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110577526-B Salt of bromodomain structural protein inhibitor and preparation method and application thereof 上海翰森生物医药科技有限公司 2023-10-27 CN disclosed