SCHEMBL9978037

SCHEMBL9978037

CC(C)(C(=O)NCCOc1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
POLB P06746 2/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
PPARD Q03181 9/20 0.48
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 1/20 0.43
CASR P41180 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9978149 0.85 CNR1 (0.53) CNR1CNR2NPC1RAB9APOLB
SCHEMBL9978071 0.85 CNR1 (0.53) CNR1CNR2NPC1RAB9APOLB
SCHEMBL2224923 0.85 NPC1 (0.52) CNR1CNR2NPC1RAB9APOLB
SCHEMBL9937741 0.84 CNR1 (0.50) CNR1CNR2NPC1RAB9APPARD
SCHEMBL9937870 0.83 POLB (0.51) CNR1CNR2NPC1RAB9APOLB
SCHEMBL9978045 0.83 CNR1 (0.48) CNR1CNR2POLBPPARDL3MBTL1
SCHEMBL9978065 0.82 CNR1 (0.50) CNR1CNR2POLBPPARDKDM4E
SCHEMBL9978007 0.82 CNR1 (0.52) CNR1CNR2NPC1RAB9APOLB
SCHEMBL9978092 0.81 CNR1 (0.55) CNR1CNR2POLBPPARDSMN1; SMN2
SCHEMBL9978072 0.80 CNR1 (0.49) CNR1CNR2RAB9APOLBPPARD

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