SCHEMBL9978007

SCHEMBL9978007

CC(C)(C(=O)NCC#Cc1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.52
CNR2 P34972 3/20 0.52
PPARD Q03181 12/20 0.46
POLB P06746 1/20 0.41
NPY5R Q15761 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL9978037 0.82 CNR1 (0.51) CNR1CNR2PPARDPOLBNPC1
SCHEMBL9978149 0.82 CNR1 (0.53) CNR1CNR2PPARDPOLBNPC1
SCHEMBL9978071 0.82 CNR1 (0.53) CNR1CNR2PPARDPOLBNPC1
SCHEMBL9937870 0.80 POLB (0.51) CNR1CNR2PPARDPOLBNPC1
SCHEMBL9978050 0.79 CNR1 (0.50) CNR1CNR2PPARDPOLBNPC1
SCHEMBL9937741 0.79 CNR1 (0.50) CNR1CNR2PPARDNPC1RAB9A
SCHEMBL9978065 0.79 CNR1 (0.50) CNR1CNR2PPARDPOLB
SCHEMBL9978072 0.78 CNR1 (0.49) CNR1CNR2PPARDPOLBRAB9A
SCHEMBL9978092 0.78 CNR1 (0.55) CNR1CNR2PPARDPOLBNPY5R
SCHEMBL9978045 0.78 CNR1 (0.48) CNR1CNR2PPARDPOLB

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