SCHEMBL6558719

SCHEMBL6558719

CCS(=O)(=O)N(CCCC(F)(F)F)C1CC(C)(C)Oc2ccc(C#N)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 7/20 0.46
KCNQ1 P51787 7/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
KMT2A Q03164 1/20 0.46
KCND3 Q9UK17 1/20 0.46
ABCB1 P08183 6/20 0.37
KDM4E B2RXH2 1/20 0.36
KCNH2 Q12809 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
ABCC9 O60706 2/20 0.33
ABCC8 Q09428 2/20 0.33
KCNJ11 Q14654 2/20 0.33
KCNJ8 Q15842 2/20 0.33
CYP2C9 P11712 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
SCHEMBL6559311 0.90 KCNE1 (0.52) KCNE1KCNQ1CYP1A2CYP2D6CYP2C19
SCHEMBL6559250 0.87 KCNE1 (0.44) KCNE1KCNQ1CYP3A4KCNH2
SCHEMBL6558683 0.87 KCNE1 (0.36) KCNE1KCNQ1CYP1A2CYP2D6CYP2C19
SCHEMBL6559889 0.86 KCNE1 (0.54) KCNE1KCNQ1CYP1A2CYP2D6CYP2C19
SCHEMBL6559549 0.86 KCNE1 (0.36) KCNE1KCNQ1CYP1A2CYP2D6CYP2C19
SCHEMBL7826231 0.83 KCNE1 (0.36) KCNE1KCNQ1CYP1A2CYP2D6CYP2C19
SCHEMBL6560826 0.83 HTR2B (0.35) KCNE1KCNQ1CYP2D6CYP2C19CYP3A4
SCHEMBL7826743 0.83 KCNE1 (0.36) KCNE1KCNQ1CYP1A2CYP2D6CYP2C19
SCHEMBL6560833 0.82 KCNE1 (0.50) KCNE1KCNQ1CYP1A2CYP2D6CYP2C19
SCHEMBL4620609 0.82 PSEN1 (0.33) KCNE1KCNQ1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807629-B1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them AVENTIS PHARMA GMBH (DE) 2004-03-03 EP claimed
US-6191164-B1 POTASSIUM CHANNEL MODULATORS; ANTIULCER AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2001-02-20 US claimed
EP-0807629-B1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them AVENTIS PHARMA GMBH (DE) 2004-03-03 EP disclosed
US-6191164-B1 POTASSIUM CHANNEL MODULATORS; ANTIULCER AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
EP-0807629-A1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-19 EP disclosed