SCHEMBL6172086

SCHEMBL6172086

CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OC(C)(C)[C@@H](O)[C@@H]2NCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
KCNA5 P22460 4/20 0.38
TLR3 O15455 1/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CYP19A1 P11511 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL6172081 1.00 KCNH2 (0.53) KCNH2KCNA5TLR3MAPTKMT2A
SCHEMBL6172074 1.00 KCNH2 (0.53) KCNH2KCNA5TLR3MAPTKMT2A
SCHEMBL6165727 0.94 KCNH2 (0.52) KCNH2KCNA5MAPTKMT2ASMN1; SMN2
SCHEMBL6165735 0.94 KCNH2 (0.52) KCNH2KCNA5MAPTKMT2ASMN1; SMN2
SCHEMBL6165740 0.94 KCNH2 (0.52) KCNH2KCNA5MAPTKMT2ASMN1; SMN2
SCHEMBL6167833 0.93 KCNH2 (0.51) KCNH2KCNA5MAPTKMT2ASMN1; SMN2
SCHEMBL6163878 0.93 KCNH2 (0.51) KCNH2KCNA5MAPTKMT2ANPSR1
SCHEMBL6167849 0.93 KCNH2 (0.51) KCNH2KCNA5MAPTKMT2ASMN1; SMN2
SCHEMBL6163891 0.93 KCNH2 (0.51) KCNH2KCNA5MAPTKMT2ANPSR1
SCHEMBL6167841 0.93 KCNH2 (0.51) KCNH2KCNA5MAPTKMT2ASMN1; SMN2

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