SCHEMBL4858540

SCHEMBL4858540

O=C(N1c2ccccc2Sc2cccc(C(F)(F)F)c21)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 0.50
BCHE P06276 16/20 0.49
ACHE P22303 4/20 0.46

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
SCHEMBL1001947 0.83 BCHE (0.63) NOX1BCHEACHE
SCHEMBL5192838 0.83 BCHE (0.50) NOX1BCHEACHE
SCHEMBL3474481 0.76 HPGD (0.54) NOX1BCHEACHE
SCHEMBL1000805 0.75 HPGD (0.62) BCHE
SCHEMBL3472676 0.72 BCHE (0.58) BCHEACHE
SCHEMBL1000540 0.72 BCHE (0.65) BCHEACHE
SCHEMBL4556567 0.71 BCHE (0.59) NOX1BCHEACHE
SCHEMBL17563167 0.70 HSD11B1 (0.40) NOX1BCHEACHE
SCHEMBL24361119 0.69 BCHE (0.56) NOX1BCHEACHE
SCHEMBL4445398 0.69 BCHE (0.56) NOX1BCHEACHE

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
JP-2008503463-A 2008-02-07 JP claimed
WO-2006009678-A1 CATALYST COMPOSITIONS AND THEIR USE FOR CHLORINATING AROMATIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2006-01-26 WO claimed