SCHEMBL6583582

SCHEMBL6583582

COc1ccc(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OC(C)(C)C2O[C@H]32)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.70
MAPK1 P28482 1/20 0.53
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 3/20 0.45
ALDH1A1 P00352 7/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
HTT P42858 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
POLB P06746 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
SCHEMBL6583579 1.00 KCNH2 (0.70) KCNH2MAPK1PKML3MBTL1LMNA
SCHEMBL6980817 0.90 KCNH2 (0.56) KCNH2MAPK1PKML3MBTL1LMNA
SCHEMBL6982472 0.88 KCNH2 (0.55) KCNH2MAPK1PKML3MBTL1LMNA
SCHEMBL6981760 0.88 KCNH2 (0.54) KCNH2MAPK1PKML3MBTL1LMNA
SCHEMBL6587661 0.87 KCNH2 (0.77) KCNH2MAPK1PKML3MBTL1LMNA
SCHEMBL6587659 0.87 KCNH2 (0.77) KCNH2MAPK1PKML3MBTL1LMNA
SCHEMBL6587377 0.86 KCNH2 (0.75) KCNH2MAPK1PKML3MBTL1LMNA
SCHEMBL6587375 0.86 KCNH2 (0.75) KCNH2MAPK1PKML3MBTL1LMNA
SCHEMBL6583865 0.85 KCNH2 (0.71) KCNH2MAPK1PKML3MBTL1LMNA
SCHEMBL6583861 0.85 KCNH2 (0.71) KCNH2MAPK1PKML3MBTL1LMNA

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 2 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