SCHEMBL21628320

SCHEMBL21628320

NC(=O)c1cc(C(N)=O)c2c(c1)C(c1ccccc1)C([C@H]1C[C@H]1CCN1CCOCC1)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 11/20 0.43
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ TRIM24 O15164 1/20 0.35
▸ BRD1 O95696 1/20 0.35
▸ CCL2 P13500 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ TAF1 P21675 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ BRD2 P25440 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ SMARCA2 P51531 1/20 0.35
▸ SMARCA4 P51532 1/20 0.35
▸ BRPF1 P55201 1/20 0.35
▸ EP300 Q09472 1/20 0.35
▸ BPTF Q12830 1/20 0.35

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
SCHEMBL21628325 0.77 BRD4 (0.56) BRD4TRIM24BRD1CCL2DRD2
SCHEMBL21649918 0.70 BRD4 (0.62) BRD4TRIM24BRD1CCL2DRD2
SCHEMBL20983266 0.70 BRD4 (0.62) BRD4TRIM24BRD1CCL2DRD2
SCHEMBL20983297 0.70 BRD4 (0.62) BRD4TRIM24BRD1CCL2DRD2
SCHEMBL20983263 0.70 BRD4 (0.62) BRD4TRIM24BRD1CCL2DRD2
SCHEMBL19456317 0.70 BRD4 (0.62) BRD4TRIM24BRD1CCL2DRD2
SCHEMBL19437394 0.69 BRD4 (0.80) BRD4TRIM24BRD1CCL2DRD2
SCHEMBL20983252 0.69 BRD4 (0.74) BRD4TRIM24BRD1CCL2DRD2
SCHEMBL19456353 0.69 BRD4 (0.74) BRD4TRIM24BRD1CCL2DRD2
SCHEMBL28685842 0.68 BRD4 (0.80) BRD4TRIM24BRD1CCL2DRD2

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
EP-3440075-B1 BENZO[B]FURANS AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-01-29 — — EP disclosed
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