SCHEMBL6601004

SCHEMBL6601004

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 17/20 0.46
KCNQ1 P51787 17/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCND3 Q9UK17 1/20 0.44
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL6602008 0.88 KCNE1 (0.44) KCNE1KCNQ1MEN1KMT2ACYP1A2
SCHEMBL6558707 0.86 KCNE1 (0.45) KCNE1KCNQ1MEN1KMT2ACYP1A2
SCHEMBL6558501 0.86 KCNE1 (0.45) KCNE1KCNQ1MEN1KMT2ACYP1A2
SCHEMBL6604284 0.86 KCNE1 (0.38) KCNE1KCNQ1MEN1KMT2ACYP1A2
SCHEMBL6559329 0.85 KCNE1 (0.44) KCNE1KCNQ1MEN1KMT2ACYP1A2
SCHEMBL6559211 0.85 KCNE1 (0.44) KCNE1KCNQ1MEN1KMT2ACYP1A2
SCHEMBL6559271 0.85 KCNE1 (0.61) KCNE1KCNQ1MEN1KMT2ACYP1A2
SCHEMBL6558631 0.84 KCNE1 (0.46) KCNE1KCNQ1MEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL7833018 0.84 KCNE1 (0.43) KCNE1KCNQ1MEN1KMT2ACYP1A2
SCHEMBL6559388 0.84 KCNE1 (0.43) 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 4 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
US-6177449-B1 CARDIOVASCULAR DISORDERS; ANTIULCER AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-01-23 US disclosed
CN-1216763-A Sulfamine sbstituted benzodihydrofuran, method for preparing same, use as medicine, medicine prepns. contg. same HOECHST MARION ROUSSEL DE GMBH (DE) 1999-05-19 CN 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