SCHEMBL6601023

SCHEMBL6601023

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 15/20 0.53
KCNQ1 P51787 15/20 0.53
KCNH2 Q12809 1/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCND3 Q9UK17 1/20 0.40
HRH3 Q9Y5N1 1/20 0.37
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
PTPN1 P18031 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
SCHEMBL6602375 0.88 KCNE1 (0.49) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6559307 0.86 KCNE1 (0.59) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6558631 0.85 KCNE1 (0.46) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6602327 0.85 KCNE1 (0.48) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6559490 0.84 KCNE1 (0.45) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6601126 0.83 KCNE1 (0.68) KCNE1KCNQ1
SCHEMBL6601004 0.82 KCNE1 (0.46) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6600267 0.81 KCNE1 (0.48) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6601925 0.81 KCNE1 (0.44) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL7472274 0.81 KCNE1 (0.53) KCNE1KCNQ1KCNH2MEN1KMT2A

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-0906911-B1 Sulfonamid-substituted chromane derivatives (K+channel-blocker), process for their preparation, their use as drugsand pharmaceutical compositions containing them AVENTIS PHARMA GMBH (DE) 2004-04-28 EP disclosed
EP-0906911-A1 Sulfonamid-substituted chromane derivatives (K+channel-blocker), process for their preparation, their use as drugsand pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-04-07 EP disclosed