SCHEMBL3926338

SCHEMBL3926338

COc1ccc(C2(NS(=O)(=O)Cc3cccnc3)CNC(=O)N2CCCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.47
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
POLB P06746 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
ADAM17 P78536 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL4114909 0.92 KCNA5 (0.53) KCNA5POLBOPRM1OPRL1KCNH2
SCHEMBL3918255 0.89 KCNA5 (0.51) KCNA5POLBOPRM1OPRL1KCNH2
SCHEMBL3927033 0.86 KCNA5 (0.54) KCNA5CNR1CNR2POLBKCNH2
SCHEMBL3915654 0.86 KCNA5 (0.48) KCNA5CNR1CNR2POLBOPRM1
SCHEMBL3916079 0.86 KCNA5 (0.48) KCNA5POLBKCNH2ALDH1A1MEN1
SCHEMBL3916689 0.85 SIGMAR1 (0.43) KCNA5POLBOPRM1KCNH2ALDH1A1
SCHEMBL3918962 0.80 KCNA5 (0.45) KCNA5KCNH2MMP1MMP9MMP13
SCHEMBL3920593 0.79 KEAP1 (0.44) KCNA5POLBALDH1A1PKMKMT2A
SCHEMBL3914439 0.79 CA12 (0.43) KCNA5KCNH2MMP1MMP9MMP13
SCHEMBL3919007 0.79 KCNA5 (0.49) KCNA5KCNH2ALDH1A1MAPTHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035392-A1 IMIDAZOLE KV1. 5 POTASSIUM CHANNEL INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-03-18 EP disclosed
WO-2007149874-A1 IMIDAZOLIDINONE KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 WO disclosed