SCHEMBL6744263

SCHEMBL6744263

Nc1ccc(O)n2nccc12

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
IDO1 P14902 1/20 0.32
PSMB5 P28074 1/20 0.32
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 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
SCHEMBL3182840 0.75 MALT1 (0.35)
SCHEMBL17719364 0.68
SCHEMBL6745049 0.65 MAP4K4 (0.36) HSP90AA1HSP90AB1IDO1PSMB5
SCHEMBL2849280 0.65 MAP4K4 (0.53)
SCHEMBL19397864 0.63 DGAT1 (0.36)
SCHEMBL15340423 0.63 DGAT1 (0.35)
SCHEMBL4773662 0.61 MAP4K4 (0.36) HSP90AA1HSP90AB1IDO1PSMB5
SCHEMBL902753 0.61 PDE10A (0.35) IDO1
SCHEMBL16828091 0.60 PDE10A (0.43) CDK5
SCHEMBL6744184 0.60 PIK3C3 (0.40) HSP90AA1HSP90AB1IDO1PSMB5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017109132-A1 PROCESS USING A COMPOSITION COMPRISING A NEUTRALIZED FATTY ACID, AND A PARTICULAR CLAY L'OREAL (FR) 2017-06-29 WO disclosed
EP-2791115-A1 COUPLER WITH CATIONIC 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE STRUCTURE, DYEING COMPOSITION COMPRISING SAME, PROCESSES AND USES L'Oréal (FR) 2014-10-22 EP disclosed
WO-2013087931-A1 COUPLER WITH CATIONIC 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE STRUCTURE, DYEING COMPOSITION COMPRISING SAME, PROCESSES AND USES L'OREAL (FR) 2013-06-20 WO disclosed
US-20040122782-A1 Process for determining the composition of a dye product L'OREAL (FR) 2004-06-24 US disclosed