SCHEMBL6167849

SCHEMBL6167849

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
MAPT P10636 4/20 0.44
PDE7A Q13946 1/20 0.38
CNR1 P21554 1/20 0.38
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ABCC9 O60706 1/20 0.37
KCNA5 P22460 4/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSP90AA1 P07900 1/20 0.35
XBP1 P17861 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 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
SCHEMBL6167841 1.00 KCNH2 (0.51) KCNH2MAPTPDE7ACNR1LMNA
SCHEMBL6167833 1.00 KCNH2 (0.51) KCNH2MAPTPDE7ACNR1LMNA
SCHEMBL6172086 0.93 KCNH2 (0.53) KCNH2MAPTCNR1KCNA5MEN1
SCHEMBL6172074 0.93 KCNH2 (0.53) KCNH2MAPTCNR1KCNA5MEN1
SCHEMBL6172081 0.93 KCNH2 (0.53) KCNH2MAPTCNR1KCNA5MEN1
SCHEMBL6165727 0.92 KCNH2 (0.52) KCNH2MAPTLMNAMAPK1KCNA5
SCHEMBL6165740 0.92 KCNH2 (0.52) KCNH2MAPTLMNAMAPK1KCNA5
SCHEMBL6165735 0.92 KCNH2 (0.52) KCNH2MAPTLMNAMAPK1KCNA5
SCHEMBL6163878 0.91 KCNH2 (0.51) KCNH2MAPTKCNA5KMT2ANPSR1
SCHEMBL6163891 0.91 KCNH2 (0.51) KCNH2MAPTKCNA5KMT2ANPSR1

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