SCHEMBL29440460

SCHEMBL29440460

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MEP1B Q16820 1/20 0.33
DRD1 P21728 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KCNK2 O95069 1/20 0.32
KCNA5 P22460 1/20 0.32
KCNH2 Q12809 1/20 0.32
KCNB1 Q14721 1/20 0.32
ROCK2 O75116 2/20 0.31
ROCK1 Q13464 2/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
LMNA P02545 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL22952600 1.00 KDM4E (0.34) KDM4EMEP1BDRD1SMN1; SMN2KCNK2
SCHEMBL28936693 1.00 KDM4E (0.34) KDM4EMEP1BDRD1SMN1; SMN2KCNK2
SCHEMBL28711060 1.00 KDM4E (0.34) KDM4EMEP1BDRD1SMN1; SMN2KCNK2
SCHEMBL28936695 1.00 KDM4E (0.34) KDM4EMEP1BDRD1SMN1; SMN2KCNK2
SCHEMBL22952607 1.00 KDM4E (0.34) KDM4EMEP1BDRD1SMN1; SMN2KCNK2
SCHEMBL29440439 1.00 KDM4E (0.34) KDM4EMEP1BDRD1SMN1; SMN2KCNK2
SCHEMBL28716084 0.88 DRD1 (0.37) KDM4EMEP1BDRD1SMN1; SMN2KCNK2
SCHEMBL22952672 0.88 DRD1 (0.37) KDM4EMEP1BDRD1SMN1; SMN2KCNK2
SCHEMBL29440431 0.88 DRD1 (0.37) KDM4EMEP1BDRD1SMN1; SMN2KCNK2
SCHEMBL28716086 0.88 DRD1 (0.37) KDM4EMEP1BDRD1SMN1; SMN2KCNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4007634-B1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H LUNDBECK AS (DK) 2024-10-02 EP disclosed
CN-114206830-B Alcohol derivatives as Kv7 potassium channel openers H.隆德贝克有限公司 2024-07-30 CN disclosed
EP-4007634-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. Lundbeck A/S (DK) 2022-06-08 EP disclosed
CN-114206830-A Alcohol derivatives as Kv7 potassium channel openers H.隆德贝克有限公司 2022-03-18 CN disclosed