SCHEMBL19456132

SCHEMBL19456132

CNC(=O)c1cc(C)cc2c1OC(CO)C2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.33
▸ BRD4 O60885 12/20 0.33
▸ PARP1 P09874 3/20 0.32
▸ POLB P06746 1/20 0.32
▸ EZH2 Q15910 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL19456159 0.88 BRD4 (0.39) BRD4PARP1
SCHEMBL21649797 0.86 BRD4 (0.43) BRD4
SCHEMBL19456080 0.85 RXFP1 (0.38) RXFP1BRD4PARP1EZH2
SCHEMBL19456093 0.84 BRD4 (0.39) BRD4
SCHEMBL19456305 0.83 BRD4 (0.32) BRD4PARP1
SCHEMBL19456090 0.82 BRD4 (0.36) BRD4
SCHEMBL19456377 0.82 ALDH1A1 (0.37) BRD4POLBKDM4EALDH1A1HPGD
SCHEMBL19456084 0.82 PARP1 (0.49) BRD4PARP1
SCHEMBL19456310 0.81 BRD4 (0.49) BRD4
SCHEMBL19456152 0.80 BRD4 (0.50) 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 2 patents. 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
WO-2017174620-A1 BENZO[B]FURANS AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-10-12 — — WO disclosed
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