SCHEMBL9978222

SCHEMBL9978222

CC(C)(C(=O)NCCSc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.50
CNR1 P21554 2/20 0.50
PPARD Q03181 11/20 0.47
POLB P06746 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
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
SCHEMBL9978214 0.92 CNR2 (0.48) CNR2CNR1PPARDPOLB
SCHEMBL9978177 0.91 PPARD (0.52) CNR2CNR1PPARDPOLBL3MBTL1
SCHEMBL9937741 0.87 CNR1 (0.50) CNR2CNR1PPARD
SCHEMBL9978219 0.87 PPARD (0.50) CNR2CNR1PPARDPOLBTRPV4
SCHEMBL9978217 0.86 CNR1 (0.50) CNR2CNR1PPARDPOLBL3MBTL1
SCHEMBL9978215 0.85 CNR1 (0.48) CNR2CNR1PPARDPOLB
SCHEMBL9978070 0.85 CNR1 (0.48) CNR2CNR1PPARDL3MBTL1
SCHEMBL9978039 0.84 CNR1 (0.48) CNR2CNR1PPARDPOLB
SCHEMBL9978036 0.84 MTNR1A (0.47) CNR2CNR1PPARDPOLB
SCHEMBL9978202 0.83 CNR1 (0.47) CNR2CNR1PPARD

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