SCHEMBL14775199

SCHEMBL14775199

CSc1ccc(CC2CN(CC3(C)Cn4cc([N+](=O)[O-])nc4O3)CCN2C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.45
CACNA1C Q13936 1/20 0.45
SCN5A Q14524 1/20 0.45
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
NR2F2 P24468 1/20 0.40
MAPK1 P28482 1/20 0.40
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
GALR3 O60755 1/20 0.36
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CHRM1 P11229 1/20 0.31
PAX8 Q06710 1/20 0.30

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
SCHEMBL6010804 0.91 KCNH2 (0.55) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL6010799 0.91 KCNH2 (0.55) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL6010920 0.91 KCNH2 (0.46) KCNH2CACNA1CSCN5APTGS1SLC6A2
Hydrochloric Acid SCHEMBL14774897 0.90 KCNH2 (0.47) KCNH2CACNA1CSCN5AMAPK1PTGS1
SCHEMBL14775037 0.90 KCNH2 (0.45) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL6010642 0.88 KCNH2 (0.46) KCNH2CACNA1CSCN5AKDM4EPTGS1
SCHEMBL6010648 0.88 KCNH2 (0.46) KCNH2CACNA1CSCN5AKDM4EPTGS1
SCHEMBL6010969 0.86 KCNH2 (0.59) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL6010973 0.86 KCNH2 (0.59) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL14774954 0.86 KCNH2 (0.43) KCNH2CACNA1CSCN5APTGS1SLC6A2

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-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed