SCHEMBL6581298

SCHEMBL6581298

COc1ccc(N(C(C)=O)c2cc3c(cc2[N+](=O)[O-])OC(C)(C)[C@H](O)[C@H]3OCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
IDO1 P14902 1/20 0.37
KCNE1 P15382 3/20 0.37
KCNQ1 P51787 3/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 1/20 0.34
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KEAP1 Q14145 2/20 0.34
NFE2L2 Q16236 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL6579248 0.93 KCNH2 (0.42) KCNH2ALDH1A1LMNACYP3A4ALOX15
SCHEMBL6584556 0.89 KCNH2 (0.41) KCNH2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7540170 0.81 KCNH2 (0.40) KCNH2ALDH1A1LMNAMEN1KMT2A
SCHEMBL6581304 0.79 KCNH2 (0.68) KCNH2ALDH1A1LMNAMEN1KMT2A
SCHEMBL6581297 0.79 KCNH2 (0.68) KCNH2ALDH1A1LMNAMEN1KMT2A
SCHEMBL6581308 0.79 KCNH2 (0.68) KCNH2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7465262 0.77 ALDH1A1 (0.40) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL6579258 0.72 KCNH2 (0.67) KCNH2ALDH1A1LMNAMEN1KMT2A
SCHEMBL6579244 0.72 KCNH2 (0.67) KCNH2ALDH1A1LMNAMEN1KMT2A
SCHEMBL6579255 0.72 KCNH2 (0.67) KCNH2ALDH1A1LMNAMEN1KMT2A

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 1 patent. 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