SCHEMBL6558501

SCHEMBL6558501

CCS(=O)(=O)N(C)C1CC(C)(C)Oc2ccc(C(=O)O)cc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 12/20 0.45
KCNQ1 P51787 12/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KCND3 Q9UK17 1/20 0.43
TBXA2R P21731 1/20 0.37
TBXAS1 P24557 1/20 0.37
KCNA5 P22460 1/20 0.36
RXRA P19793 1/20 0.36

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
SCHEMBL6559607 0.92 KCNE1 (0.47) KCNE1KCNQ1MEN1KMT2ACYP1A2
SCHEMBL6559388 0.91 KCNE1 (0.43) KCNE1KCNQ1MEN1KMT2ACYP1A2
SCHEMBL6559500 0.90 NPSR1 (0.38) KCNE1KCNQ1MEN1KMT2ACYP1A2
SCHEMBL6560813 0.89 KCNE1 (0.42) KCNE1KCNQ1MEN1KMT2ACYP1A2
SCHEMBL6560005 0.88 KCNE1 (0.43) KCNE1KCNQ1MEN1KMT2ATBXA2R
SCHEMBL6559550 0.87 MEN1 (0.37) KCNE1KCNQ1MEN1KMT2ATBXA2R
SCHEMBL6559927 0.86 KCNA5 (0.41) KCNE1KCNQ1MEN1KMT2ATBXA2R
SCHEMBL6601004 0.86 KCNE1 (0.46) KCNE1KCNQ1MEN1KMT2ACYP1A2
SCHEMBL6559508 0.85 MEN1 (0.35) KCNE1KCNQ1MEN1KMT2ATBXA2R
SCHEMBL6558561 0.85 KCNE1 (0.34) KCNE1KCNQ1MEN1KMT2ACYP1A2

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 3 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
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