SCHEMBL9978039

SCHEMBL9978039

COc1ccc(SCCNC(=O)C(C)(C)S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
HTT P42858 3/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARD Q03181 11/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
QPCT Q16769 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
SCHEMBL9978036 0.89 MTNR1A (0.47) CNR1CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL9978217 0.86 CNR1 (0.50) CNR1CNR2GAAPPARDPOLB
SCHEMBL9978038 0.85 MTNR1A (0.49) CNR1CNR2PPARDPOLB
SCHEMBL9978177 0.85 PPARD (0.52) CNR1CNR2HTTSMN1; SMN2PPARD
SCHEMBL9937741 0.85 CNR1 (0.50) CNR1CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL9978222 0.84 CNR2 (0.50) CNR1CNR2PPARDPOLB
SCHEMBL9978214 0.84 CNR2 (0.48) CNR1CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL9978063 0.83 CNR2 (0.48) CNR1CNR2PPARDKMT2AALDH1A1
SCHEMBL9978215 0.79 CNR1 (0.48) CNR1CNR2PPARDPOLB
SCHEMBL9978045 0.79 CNR1 (0.48) CNR1CNR2PPARDKMT2APOLB

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