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Sugi Predict / Compounds / SCHEMBL21787791

SCHEMBL21787791

SCHEMBL21787791

CNC(=O)c1cc(C(=O)O)c(C(C)c2ccccc2)o1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 17/20 0.77
▸ BRD2 P25440 1/20 0.67
▸ BRD3 Q15059 1/20 0.67
▸ BRDT Q58F21 1/20 0.67
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ THRB P10828 1/20 0.43

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
SCHEMBL21776778 1.00 BRD4 (0.77) BRD4BRD2BRD3BRDTALDH1A1
SCHEMBL21787789 0.89 BRD4 (0.70) BRD4BRD2BRD3BRDTHPGD
SCHEMBL21787790 0.89 BRD4 (0.70) BRD4BRD2BRD3BRDTHPGD
SCHEMBL21776776 0.89 BRD4 (0.67) BRD4BRD2BRD3BRDTALDH1A1
SCHEMBL21787967 0.88 BRD4 (0.83) BRD4BRD2BRD3BRDTALDH1A1
SCHEMBL24006939 0.87 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL21787966 0.87 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL21776757 0.87 BRD4 (0.69) BRD4BRD2BRD3BRDT
SCHEMBL21787974 0.87 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL24007303 0.86 BRD4 (0.80) BRD4BRD2BRD3BRDT

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-2020043821-A1 FURAN DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2020-03-05 — — WO disclosed