SCHEMBL6561055

SCHEMBL6561055

CCCCS(=O)(=O)N(C)C1c2cc(C#N)ccc2OC(C)(C)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 12/20 1.00
KCNQ1 P51787 12/20 1.00
MEN1 O00255 1/20 0.86
CYP1A2 P05177 1/20 0.86
CYP3A4 P08684 1/20 0.86
CYP2D6 P10635 1/20 0.86
CYP2C19 P33261 1/20 0.86
KMT2A Q03164 1/20 0.86
KCND3 Q9UK17 1/20 0.86
ABCB1 P08183 7/20 0.60
KDM4E B2RXH2 1/20 0.58

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
SCHEMBL6561052 1.00 KCNE1 (1.00) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL6561056 1.00 KCNE1 (1.00) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL4292069 0.93 KCNE1 (1.00) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL29389863 0.93 KCNE1 (1.00) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL4292061 0.93 KCNE1 (1.00) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL4292064 0.93 KCNE1 (1.00) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL6559939 0.84 KCNE1 (0.79) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL6559944 0.84 KCNE1 (0.79) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL6559948 0.84 KCNE1 (0.79) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL6560803 0.83 KCNE1 (0.78) KCNE1KCNQ1MEN1CYP1A2CYP3A4

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-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
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