SCHEMBL21652829

SCHEMBL21652829

CCOC(=O)c1cc2c(-c3cc(N)ccc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.74
BRD2 P25440 1/20 0.62
KCNH2 Q12809 1/20 0.62
BRD3 Q15059 1/20 0.62
BRDT Q58F21 1/20 0.62

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
SCHEMBL21652807 0.91 BRD4 (0.65) BRD4BRD2KCNH2BRD3BRDT
SCHEMBL23437463 0.90 BRD4 (0.64) BRD4BRD2KCNH2BRD3BRDT
SCHEMBL21652758 0.89 BRD4 (0.62) BRD4BRD2KCNH2BRD3BRDT
SCHEMBL25249935 0.88 BRD4 (0.80) BRD4BRD2KCNH2BRD3BRDT
SCHEMBL24630351 0.88 BRD4 (0.70) BRD4BRD2KCNH2BRD3BRDT
SCHEMBL30498808 0.88 BRD4 (0.80) BRD4BRD2KCNH2BRD3BRDT
SCHEMBL25809353 0.88 BRD4 (0.81) BRD4BRD2KCNH2BRD3BRDT
SCHEMBL21652836 0.86 BRD4 (0.61) BRD4BRD2KCNH2BRD3BRDT
SCHEMBL15067734 0.85 BRD4 (1.00) BRD4
SCHEMBL29745691 0.85 BRD4 (1.00) 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
WO-2020020288-A1 SULFOXIMINE COMPOUND AS BROMODOMAIN PROTEIN INHIBITOR AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2020-01-30 WO disclosed