SCHEMBL7870583

SCHEMBL7870583

COc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1nc2c(OC)cnc(OC)n2n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.44
SCN9A Q15858 13/20 0.43
SLC40A1 Q9NP59 3/20 0.40
PTK2 Q05397 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SCN5A Q14524 1/20 0.37

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
SCHEMBL7860914 0.83 SLC22A12 (0.35) ALPLSCN9A
SCHEMBL7859400 0.80 ALPL (0.50) ALPL
SCHEMBL7859437 0.79 TSHR (0.51) ALPL
SCHEMBL6630344 0.78 CCR4 (0.37) SCN9ASLC40A1
SCHEMBL4394420 0.78 SLC22A12 (0.39) SCN9APTK2
SCHEMBL16359710 0.78 SLC22A12 (0.41) SCN9ASLC40A1PTK2
SCHEMBL7859430 0.77 KAT7 (0.38) SLC40A1
SCHEMBL7867628 0.77 SLC40A1 (0.45) SLC40A1
SCHEMBL16359716 0.75 CCR4 (0.51) SCN9ASLC40A1
SCHEMBL7864634 0.75 SLC22A12 (0.37) ALPLSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877745-B1 N-( 1,2,4] TRIAZOLOAZINYL)BENZENESULFONAMIDE AND PYRIDINESULFONAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2001-07-25 EP claimed