SCHEMBL6239140

SCHEMBL6239140

NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2)s1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.60
PTGS2 P35354 2/20 0.51
PTGS1 P23219 1/20 0.51
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA9 Q16790 4/20 0.45

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
SCHEMBL13742955 0.84 RAB9A (0.46) KIF11NPC1RAB9ACA12CA1
SCHEMBL3562110 0.82 KIF11 (0.46) KIF11NPC1RAB9A
SCHEMBL13742917 0.81 CA1 (0.53) PTGS2PTGS1NPC1RAB9ACA12
SCHEMBL6234020 0.78 CA1 (0.58) KIF11PTGS2PTGS1NPC1RAB9A
SCHEMBL6236816 0.76 KIF11 (0.59) KIF11PTGS2PTGS1
SCHEMBL18118201 0.76 CA1 (0.56) PTGS2PTGS1NPC1RAB9ACA12
SCHEMBL3480234 0.73 SNCA (0.63) NPC1RAB9ACA12CA1CA2
SCHEMBL3567560 0.72 NPC1 (0.43) NPC1RAB9A
SCHEMBL5528573 0.72 KIF11 (0.74) KIF11PTGS2PTGS1
SCHEMBL5531427 0.72 KIF11 (0.74) KIF11PTGS2PTGS1

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
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO disclosed