SCHEMBL6163884

SCHEMBL6163884

CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OC(C)(C)C(O)C2NCCc1ccc(N)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
KCNA5 P22460 7/20 0.37
MAPT P10636 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 2/20 0.34
AR P10275 1/20 0.34
ABCB1 P08183 3/20 0.33
PKM P14618 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
SCHEMBL6163878 1.00 KCNH2 (0.51) KCNH2KCNA5MAPTNPSR1KMT2A
SCHEMBL6163891 1.00 KCNH2 (0.51) KCNH2KCNA5MAPTNPSR1KMT2A
SCHEMBL6172086 0.93 KCNH2 (0.53) KCNH2KCNA5MAPTNPSR1KMT2A
SCHEMBL6172074 0.93 KCNH2 (0.53) KCNH2KCNA5MAPTNPSR1KMT2A
SCHEMBL6172081 0.93 KCNH2 (0.53) KCNH2KCNA5MAPTNPSR1KMT2A
SCHEMBL6165735 0.92 KCNH2 (0.52) KCNH2KCNA5MAPTNPSR1KMT2A
SCHEMBL6165727 0.92 KCNH2 (0.52) KCNH2KCNA5MAPTNPSR1KMT2A
SCHEMBL6165740 0.92 KCNH2 (0.52) KCNH2KCNA5MAPTNPSR1KMT2A
SCHEMBL6167849 0.91 KCNH2 (0.51) KCNH2KCNA5MAPTNPSR1KMT2A
SCHEMBL6167833 0.91 KCNH2 (0.51) KCNH2KCNA5MAPTNPSR1KMT2A

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-1212314-B1 BENZOPYRAN DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2005-11-30 EP disclosed
US-6589983-B1 Antiarrhythmic agents having the prolongation effect on the functional refractory period as a main function NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-08 US disclosed