SCHEMBL6559904

SCHEMBL6559904

CCS(=O)(=O)N(C)C1CC(C)(C)Oc2cc(OC)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 11/20 0.39
KCNQ1 P51787 11/20 0.39
ABCB1 P08183 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCND3 Q9UK17 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL6558631 0.91 KCNE1 (0.46) KCNE1KCNQ1MEN1KMT2AMAPT
SCHEMBL6561097 0.88 MEN1 (0.38) KCNE1KCNQ1ABCB1MEN1KMT2A
SCHEMBL6559258 0.84 KDM4E (0.37) KCNE1KCNQ1MEN1KMT2AKDM4E
SCHEMBL6559524 0.81 KCNE1 (0.57) KCNE1KCNQ1MEN1KMT2AALDH1A1
SCHEMBL6558662 0.80 KCNE1 (0.39) KCNE1KCNQ1MEN1KMT2ACYP1A2
SCHEMBL6559490 0.79 KCNE1 (0.45) KCNE1KCNQ1MEN1KMT2AKDM4E
SCHEMBL6559593 0.79 KCNE1 (0.38) KCNE1KCNQ1MEN1KMT2ACYP1A2
SCHEMBL6558707 0.78 KCNE1 (0.45) KCNE1KCNQ1MEN1KMT2ACYP1A2
SCHEMBL6559211 0.77 KCNE1 (0.44) KCNE1KCNQ1MEN1KMT2ACYP1A2
SCHEMBL6559329 0.77 KCNE1 (0.44) 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