SCHEMBL6584205

SCHEMBL6584205

CCCOC1c2cc(NC(=O)Cc3ccc(OC)cc3)c([N+](=O)[O-])cc2OC(C)(C)C1O

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.71
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HTT P42858 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 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
SCHEMBL6584210 1.00 KCNH2 (0.71) KCNH2MAPK1L3MBTL1PKMSMN1; SMN2
SCHEMBL6583861 0.95 KCNH2 (0.71) KCNH2MAPK1L3MBTL1PKMSMN1; SMN2
SCHEMBL6583865 0.95 KCNH2 (0.71) KCNH2MAPK1L3MBTL1PKMSMN1; SMN2
SCHEMBL6587377 0.92 KCNH2 (0.75) KCNH2MAPK1L3MBTL1PKMSMN1; SMN2
SCHEMBL6587375 0.92 KCNH2 (0.75) KCNH2MAPK1L3MBTL1PKMSMN1; SMN2
SCHEMBL6579258 0.91 KCNH2 (0.67) KCNH2MAPK1L3MBTL1PKMSMN1; SMN2
SCHEMBL6579255 0.91 KCNH2 (0.67) KCNH2MAPK1L3MBTL1PKMSMN1; SMN2
SCHEMBL6579244 0.91 KCNH2 (0.67) KCNH2MAPK1L3MBTL1PKMSMN1; SMN2
SCHEMBL6581304 0.90 KCNH2 (0.68) KCNH2MAPK1L3MBTL1PKMSMN1; SMN2
SCHEMBL6581308 0.90 KCNH2 (0.68) KCNH2MAPK1L3MBTL1PKMSMN1; SMN2

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-1214307-B1 4-OXYBENZOPYRAN DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2004-04-07 EP disclosed
US-6555574-B1 Antiarrhythmic agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-29 US disclosed
EP-1214307-A1 4-OXYBENZOPYRAN DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2002-06-19 EP disclosed
WO-2001021609-A1 4-OXYBENZOPYRAN DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 WO disclosed