SCHEMBL6579244

SCHEMBL6579244

COc1ccc(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OC(C)(C)[C@H](O)[C@H]3OCCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.67
MAPK1 P28482 2/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 7/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 2/20 0.41
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 8/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 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
SCHEMBL6579255 1.00 KCNH2 (0.67) KCNH2MAPK1PKML3MBTL1LMNA
SCHEMBL6579258 1.00 KCNH2 (0.67) KCNH2MAPK1PKML3MBTL1LMNA
SCHEMBL6581304 0.93 KCNH2 (0.68) KCNH2MAPK1PKML3MBTL1LMNA
SCHEMBL6581297 0.93 KCNH2 (0.68) KCNH2MAPK1PKML3MBTL1LMNA
SCHEMBL6581308 0.93 KCNH2 (0.68) KCNH2MAPK1PKML3MBTL1LMNA
SCHEMBL6584210 0.91 KCNH2 (0.71) KCNH2MAPK1PKML3MBTL1LMNA
SCHEMBL6584205 0.91 KCNH2 (0.71) KCNH2MAPK1PKML3MBTL1LMNA
SCHEMBL6584560 0.90 KCNH2 (0.69) KCNH2MAPK1PKML3MBTL1LMNA
SCHEMBL6584563 0.90 KCNH2 (0.69) KCNH2MAPK1PKML3MBTL1LMNA
SCHEMBL6584554 0.90 KCNH2 (0.69) 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