SCHEMBL6584556

SCHEMBL6584556

COc1ccc(N(C(C)=O)c2cc3c(cc2[N+](=O)[O-])OC(C)(C)[C@H](O)[C@H]3Oc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 6/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.34
NQO1 P15559 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.32
DNMT3B Q9UBC3 4/20 0.32
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
AKR1B10 O60218 1/20 0.32
AKR1B1 P15121 1/20 0.32
AKR1C4 P17516 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 0.89 KCNH2 (0.42) KCNH2ALDH1A1LMNAMAPTKDM4E
SCHEMBL6579248 0.88 KCNH2 (0.42) KCNH2ALDH1A1LMNAMAPTKDM4E
SCHEMBL7540170 0.83 KCNH2 (0.40) KCNH2ALDH1A1LMNAMAPTKDM4E
SCHEMBL6584554 0.77 KCNH2 (0.69) KCNH2ALDH1A1LMNAMAPTKDM4E
SCHEMBL6584563 0.77 KCNH2 (0.69) KCNH2ALDH1A1LMNAMAPTKDM4E
SCHEMBL6584560 0.77 KCNH2 (0.69) KCNH2ALDH1A1LMNAMAPTKDM4E
SCHEMBL7465262 0.71 ALDH1A1 (0.40) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL11552606 0.71 MEN1 (0.52) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL7909935 0.71 MEN1 (0.52) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL8933428 0.70 ALDH1A1 (0.50) ALDH1A1LMNAMAPTMEN1KMT2A

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