SCHEMBL6935375

SCHEMBL6935375

CC1(C)Oc2ccc(OCc3ccccc3)cc2C2OC21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 3/20 0.57
KCNQ1 P51787 3/20 0.57
MAOB P27338 7/20 0.47
MAOA P21397 3/20 0.47
HTR2B P41595 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HIF1A Q16665 3/20 0.44
ALOX5 P09917 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TOP1 P11387 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
GRM5 P41594 1/20 0.41

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
SCHEMBL6931951 0.82 KCNE1 (0.54) KCNE1KCNQ1SIGMAR1NPC1RAB9A
SCHEMBL6934369 0.80 KCNE1 (0.61) KCNE1KCNQ1MAOBMAOAHTR2B
SCHEMBL7258457 0.79 HTR2B (0.41) HTR2BTMEM97SIGMAR1ALDH1A1HPGD
SCHEMBL6936890 0.77 KCNE1 (0.58) KCNE1KCNQ1MAOBMAOA
SCHEMBL9876498 0.76 KCNE1 (0.39) KCNE1KCNQ1HIF1ARAB9AALDH1A1
SCHEMBL6937137 0.75 KCNE1 (0.55) KCNE1KCNQ1MAOBMAOAHTR2B
SCHEMBL6601951 0.75 MAOB (0.53) KCNE1KCNQ1MAOBMAOAHTR2B
SCHEMBL7870442 0.75 KCNE1 (0.36) KCNE1KCNQ1
SCHEMBL6935461 0.74 KCNE1 (0.67) KCNE1KCNQ1MAOBHIF1A
SCHEMBL6935463 0.74 KCNE1 (0.67) KCNE1KCNQ1MAOBHIF1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0913396-B1 Sulphonamide substituted benzopyran derivatives, process of preparation, their use as medicines and pharmaceutical compositions containing them AVENTIS PHARMA GMBH (DE) 2003-09-17 EP disclosed
WO-2003014113-A1 NOVEL BENZOPYRAN COMPOUNDS AND PROCESS FOR THEIR PREPARATION AND USE GLENMARK PHARMACEUTICALS LIMITED (IN) 2003-02-20 WO disclosed
US-6008245-A TREATMENT OF PROPHYLAXIS AND CARDIOVASCULAR DISORDERS, IN PARTICULAR ARRHYTHMIAS, FOR THE TREATMENT OF ULCERS OF THE GASTROINTESTINAL DISORDERS, DIARRHEAL DISEASES HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 1999-12-28 US disclosed
CN-1218050-A Sulfonamide-substituted benzopyran derivates processes for their preparation, their use as medicament, and pharmaceutical preparations comprising them HOECHST MARION ROUSSEL DE GMBH (DE) 1999-06-02 CN disclosed
EP-0913396-A2 Sulphonamide substituted benzopyran derivatives, process of preparation, their use as medicines and pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-05-06 EP disclosed