SCHEMBL6579248

SCHEMBL6579248

COc1ccc(N(C(C)=O)c2cc3c(cc2[N+](=O)[O-])OC(C)(C)[C@H](O)[C@H]3OCCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 6/20 0.39
LMNA P02545 2/20 0.39
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
MAPK1 P28482 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PTPN1 P18031 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
KCNE1 P15382 3/20 0.33
KCNQ1 P51787 3/20 0.33
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL6581298 0.93 KCNH2 (0.42) KCNH2ALDH1A1LMNAKEAP1NFE2L2
SCHEMBL6584556 0.88 KCNH2 (0.41) KCNH2ALDH1A1LMNAMAPK1NPC1
SCHEMBL7540170 0.80 KCNH2 (0.40) KCNH2ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL6579244 0.80 KCNH2 (0.67) KCNH2ALDH1A1LMNAMAPK1NPC1
SCHEMBL6579255 0.80 KCNH2 (0.67) KCNH2ALDH1A1LMNAMAPK1NPC1
SCHEMBL6579258 0.80 KCNH2 (0.67) KCNH2ALDH1A1LMNAMAPK1NPC1
SCHEMBL6893102 0.79 KCNH2 (0.48) KCNH2ALDH1A1LMNANPC1RAB9A
SCHEMBL6893115 0.79 KCNH2 (0.48) KCNH2ALDH1A1LMNANPC1RAB9A
SCHEMBL6893109 0.79 KCNH2 (0.48) KCNH2ALDH1A1LMNANPC1RAB9A
SCHEMBL7465260 0.78 ALDH1A1 (0.39) ALDH1A1LMNAKEAP1NFE2L2MAPK1

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