SCHEMBL9978092

SCHEMBL9978092

CCCCNC(=O)C(C)(C)S(=O)(=O)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
PPARD Q03181 14/20 0.47
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPY5R Q15761 1/20 0.40
APLNR P35414 1/20 0.39

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
SCHEMBL9937870 0.86 POLB (0.51) CNR1CNR2PPARDPOLB
SCHEMBL9978045 0.83 CNR1 (0.48) CNR1CNR2PPARDPOLBKMT2A
SCHEMBL9978149 0.83 CNR1 (0.53) CNR1CNR2PPARDPOLB
SCHEMBL9978071 0.83 CNR1 (0.53) CNR1CNR2PPARDPOLB
SCHEMBL9978037 0.81 CNR1 (0.51) CNR1CNR2PPARDPOLBMEN1
SCHEMBL9978065 0.81 CNR1 (0.50) CNR1CNR2PPARDPOLBKMT2A
SCHEMBL9937741 0.81 CNR1 (0.50) CNR1CNR2PPARDSMN1; SMN2
SCHEMBL9978033 0.79 PPARD (0.48) CNR1CNR2PPARDPOLBLMNA
SCHEMBL9978215 0.79 CNR1 (0.48) CNR1CNR2PPARDPOLB
SCHEMBL9978177 0.79 PPARD (0.52) CNR1CNR2PPARDPOLBLMNA

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