SCHEMBL5706259

SCHEMBL5706259

c1c[nH]c([Pb](c2ccc[nH]2)c2ccc[nH]2)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ INCENP Q9NQS7 1/20 0.35
▸ FKBP5 Q13451 1/20 0.33
▸ MCL1 Q07820 1/20 0.31
▸ NAPRT Q6XQN6 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 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
Bromide SCHEMBL27534318 0.62 — —
Bromide SCHEMBL29027396 0.61 MAOA (0.45) DAOHDAC8HDAC6AURKAAURKB
Bromide SCHEMBL29027395 0.61 MAOA (0.45) DAOHDAC8HDAC6AURKAAURKB
Hydrochloric Acid SCHEMBL7988951 0.60 HDAC6 (0.40) DAOHDAC8HDAC6AURKAAURKB
SCHEMBL30659527 0.60 — —
SCHEMBL264100 0.58 — —
SCHEMBL73934 0.58 — —
SCHEMBL673620 0.58 — —
SCHEMBL1894921 0.58 — —
SCHEMBL546591 0.58 — —

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-1704057-A1 LASER IMAGING Sherwood Technology LTD. (GB) 2006-09-27 — — EP disclosed
WO-2005068207-A1 LASER IMAGING DATALASE LTD. (GB) 2005-07-28 — — WO disclosed
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