SCHEMBL27778697

SCHEMBL27778697

NCc1ccc(C(NC(=O)CNCc2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 17/20 0.82
KDM4E B2RXH2 2/20 0.60
ALOX12 P18054 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
NPC1 O15118 1/20 0.59
HSP90AA1 P07900 1/20 0.59
RAB9A P51151 1/20 0.59

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
SCHEMBL1813726 0.93 ADAMTS5 (0.88) ADAMTS5KDM4EALOX12L3MBTL1NPC1
SCHEMBL1813036 0.90 ADAMTS5 (1.00) ADAMTS5KDM4EALOX12L3MBTL1NPC1
SCHEMBL1815205 0.90 ADAMTS5 (0.79) ADAMTS5KDM4EALOX12L3MBTL1NPC1
SCHEMBL1812427 0.89 ADAMTS5 (0.81) ADAMTS5KDM4EALOX12L3MBTL1NPC1
SCHEMBL1814802 0.87 ADAMTS5 (1.00) ADAMTS5KDM4EALOX12NPC1HSP90AA1
SCHEMBL1815608 0.87 ADAMTS5 (0.78) ADAMTS5KDM4EALOX12L3MBTL1NPC1
SCHEMBL1815938 0.87 ADAMTS5 (1.00) ADAMTS5HSP90AA1RAB9A
SCHEMBL1815836 0.85 ADAMTS5 (0.78) ADAMTS5KDM4EALOX12NPC1HSP90AA1
SCHEMBL27790154 0.85 KDM1A (0.75) ADAMTS5KDM4EALOX12L3MBTL1NPC1
SCHEMBL27778698 0.84 ADAMTS5 (0.85) ADAMTS5KDM4EALOX12L3MBTL1NPC1

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
CN-101505751-A 8-hydroxyquinoline compounds and methods thereof WYETH CORP (US) 2009-08-12 CN claimed
CN-101505751-A 8-hydroxyquinoline compounds and methods thereof WYETH CORP (US) 2009-08-12 CN disclosed