SCHEMBL5697908

SCHEMBL5697908

O=C(NCCc1ccccn1)Oc1ccccc1-c1ccccc1CNS(=O)(=O)c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.44
HTT P42858 2/20 0.43
KCNA5 P22460 5/20 0.43
KCNA3 P22001 2/20 0.43
KCNK3 O14649 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
NPC1 O15118 1/20 0.41
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5697859 0.91 HTT (0.52) PKMHTTKCNA5KCNA3KCNK3
SCHEMBL5697905 0.90 KCNA5 (0.49) PKMHTTKCNA5KCNA3KCNK3
SCHEMBL5697880 0.87 SGMS1 (0.47) ALDH1A1HTTKCNA5POLB
SCHEMBL2208909 0.85 KCNA5 (0.56) ALDH1A1PKMHTTKCNA5KCNA3
SCHEMBL5697846 0.82 KCNA5 (0.56) ALDH1A1PKMKCNA5POLB
SCHEMBL5697849 0.82 POLB (0.48) ALDH1A1HTTKCNA5SMN1; SMN2POLB
SCHEMBL5697847 0.81 TAS1R3 (0.52) ALDH1A1PKMHTTKCNA5KCNA3
SCHEMBL5697921 0.77 KCNA5 (0.66) ALDH1A1HTTKCNA5KCNA3KCNK3
SCHEMBL2209930 0.77 HTT (0.59) PKMHTTKCNA5KCNA3KCNK3
SCHEMBL5697895 0.77 KCNA5 (0.49) ALDH1A1KCNA5NPC1SMN1; SMN2POLB

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-1222163-B1 2'-SUBSTITUTED 1,1'-BIPHENYL-2-CARBONAMIDES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID COMPOUNDS SANOFI AVENTIS DEUTSCHLAND (DE) 2006-07-12 EP disclosed
EP-1222163-A1 2'-SUBSTITUTED 1,1'-BIPHENYL-2-CARBONAMIDES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID COMPOUNDS Aventis Pharma Deutschland GmbH (DE) 2002-07-17 EP disclosed
WO-2001025189-A1 2'-SUBSTITUTED 1,1'-BIPHENYL-2-CARBONAMIDES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-04-12 WO disclosed