SCHEMBL28706192

SCHEMBL28706192

CC(N[S@@+]([O-])C(C)(C)C)c1cccc(OC(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 1/20 0.39
KCNA5 P22460 1/20 0.39
KCNH2 Q12809 1/20 0.39
KCNB1 Q14721 1/20 0.39
KMT2A Q03164 4/20 0.35
POLB P06746 3/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 3/20 0.35
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ACACB O00763 1/20 0.35
KDM4E B2RXH2 1/20 0.35
IDH1 O75874 2/20 0.35
CASR P41180 2/20 0.35
MEP1B Q16820 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
MAPT P10636 2/20 0.33
DRD1 P21728 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL21272686 1.00 KCNK2 (0.39) KCNK2KCNA5KCNH2KCNB1KMT2A
SCHEMBL29467081 1.00 KCNK2 (0.39) KCNK2KCNA5KCNH2KCNB1KMT2A
SCHEMBL21272680 1.00 KCNK2 (0.39) KCNK2KCNA5KCNH2KCNB1KMT2A
SCHEMBL28706193 1.00 KCNK2 (0.39) KCNK2KCNA5KCNH2KCNB1KMT2A
SCHEMBL21272682 1.00 KCNK2 (0.39) KCNK2KCNA5KCNH2KCNB1KMT2A
SCHEMBL29440462 1.00 KCNK2 (0.39) KCNK2KCNA5KCNH2KCNB1KMT2A
SCHEMBL29005622 0.90 MEN1 (0.34) KCNK2KCNA5KCNH2KCNB1KMT2A
SCHEMBL21303047 0.87 KCNK2 (0.40) KCNK2KCNA5KCNH2KCNB1KMT2A
SCHEMBL22965249 0.87 KCNK2 (0.40) KCNK2KCNA5KCNH2KCNB1KMT2A
SCHEMBL2714987 0.87 DUT (0.41) KMT2APOLBLMNAMEN1HTT

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
CN-114206830-A Alcohol derivatives as Kv7 potassium channel openers H.隆德贝克有限公司 2022-03-18 CN disclosed