SCHEMBL3978902

SCHEMBL3978902

Cc1cc(C(NC(=O)COc2ccccc2)c2cccc([N+](=O)[O-])c2)c(O)c2ncccc12.Cc1cc(C(NC(=O)COc2ccccc2)c2ccccc2Cl)c(O)c2ncccc12.Cc1ccccc1C(NC(=O)COc1ccccc1)c1cc(Br)c2cccnc2c1O.Cc1ccccc1C(NC(=O)COc1ccccc1)c1cc(C)c2cccnc2c1O.O=C(COc1ccccc1)NC(c1cccc([N+](=O)[O-])c1)c1cc(Br)c2cccnc2c1O.O=C(COc1ccccc1)NC(c1ccccc1Cl)c1cc(Br)c2cccnc2c1O

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.78
▸ ADAMTS4 O75173 2/20 0.71

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
SCHEMBL1817388 0.88 ADAMTS5 (1.00) ADAMTS5ADAMTS4
SCHEMBL1814022 0.88 ADAMTS5 (1.00) ADAMTS5ADAMTS4
SCHEMBL1814553 0.84 ADAMTS5 (1.00) ADAMTS5ADAMTS4
SCHEMBL1814325 0.84 ADAMTS5 (0.80) ADAMTS5ADAMTS4
SCHEMBL1812783 0.84 ADAMTS5 (1.00) ADAMTS5ADAMTS4
SCHEMBL1814413 0.84 ADAMTS5 (1.00) ADAMTS5ADAMTS4
SCHEMBL1812702 0.81 ADAMTS5 (0.84) ADAMTS5ADAMTS4
SCHEMBL1815599 0.79 ADAMTS5 (1.00) ADAMTS5ADAMTS4
SCHEMBL1814803 0.79 ADAMTS5 (0.82) ADAMTS5ADAMTS4
SCHEMBL1813262 0.79 ADAMTS5 (0.81) ADAMTS5ADAMTS4

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-2056823-A2 8-HYDROXYQUINOLINE COMPOUNDS AND METHODS THEREOF Wyeth (US) 2009-05-13 — — EP disclosed
WO-2008024922-A2 8-HYDROXYQUINOLINE COMPOUNDS AND METHODS THEREOF WYETH (US) 2008-02-28 — — WO disclosed
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