SCHEMBL9978063

SCHEMBL9978063

CC(=O)Nc1ccc(SCCNC(=O)C(C)(C)S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.48
CNR1 P21554 1/20 0.48
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARD Q03181 7/20 0.39
IDO1 P14902 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
THRB P10828 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
SCHEMBL9978177 0.88 PPARD (0.52) CNR2CNR1KMT2APPARD
SCHEMBL9937741 0.88 CNR1 (0.50) CNR2CNR1ALDH1A1PPARD
SCHEMBL9978036 0.86 MTNR1A (0.47) CNR2CNR1ALDH1A1PPARD
SCHEMBL9978217 0.83 CNR1 (0.50) CNR2CNR1KDM4EALDH1A1PPARD
SCHEMBL9978222 0.83 CNR2 (0.50) CNR2CNR1PPARD
SCHEMBL9978039 0.83 CNR1 (0.48) CNR2CNR1ALDH1A1KMT2APPARD
SCHEMBL9978045 0.82 CNR1 (0.48) CNR2CNR1KDM4EALDH1A1KMT2A
SCHEMBL9978214 0.81 CNR2 (0.48) CNR2CNR1MAPTPPARD
SCHEMBL9978215 0.80 CNR1 (0.48) CNR2CNR1PPARD
SCHEMBL9978006 0.79 CNR1 (0.48) 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