SCHEMBL9978218

SCHEMBL9978218

CC(C)(C(=O)NCCSc1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
PPARD Q03181 9/20 0.44
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL9978070 0.93 CNR1 (0.48) CNR1CNR2PPARDNPC1RAB9A
SCHEMBL9978215 0.90 CNR1 (0.48) CNR1CNR2PPARD
SCHEMBL9978006 0.87 CNR1 (0.48) CNR1CNR2PPARD
SCHEMBL9978004 0.87 CNR1 (0.48) CNR1CNR2PPARDNPC1RAB9A
SCHEMBL9978008 0.87 CNR1 (0.48) CNR1CNR2PPARD
SCHEMBL9978029 0.86 CNR1 (0.46) CNR1CNR2PPARD
SCHEMBL9978005 0.86 CNR1 (0.47) CNR1CNR2PPARDRAB9A
SCHEMBL9978219 0.85 PPARD (0.50) CNR1CNR2PPARDNPC1RAB9A
SCHEMBL9978038 0.84 MTNR1A (0.49) CNR1CNR2PPARD
SCHEMBL9978214 0.84 CNR2 (0.48) CNR1CNR2PPARDNPC1RAB9A

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-2012079164-A1 ACTIVATORS OF CYLINDRICAL PROTEASES THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-06-21 WO disclosed