SCHEMBL3370399

SCHEMBL3370399

CN(C)C(=O)On1ccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 7/20 0.66
MGLL Q99685 2/20 0.49
SCN9A Q15858 9/20 0.42
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1384380 0.80 SCN4A (1.00) SCN4AMGLLSCN9A
SCHEMBL13168544 0.75 SCN4A (0.75) SCN4AMGLLSCN9AKDM4ENPC1
SCHEMBL13978585 0.73 SCN4A (1.00) SCN4AMGLLSCN9AKDM4ENPC1
SCHEMBL6775662 0.73 SCN4A (0.77) SCN4AMGLLSCN9AKDM4ENPC1
Dimethylformamide SCHEMBL27560975 0.73 SCN4A (0.70) SCN4AMGLLSCN9AKDM4ENPC1
SCHEMBL1384902 0.72 SCN4A (1.00) SCN4ASCN9A
SCHEMBL5649534 0.71 LIPE (0.47) SCN4AKDM4ENPC1ALDH1A1HPGD
SCHEMBL1385135 0.69 SCN4A (0.66) SCN4ASCN9AKDM4EALDH1A1
SCHEMBL3140335 0.69 MAPT (0.60) SCN4AMGLLSCN9ANPC1MAPT
SCHEMBL13168524 0.67 SCN4A (0.62) SCN4AMGLLSCN9A

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-1173169-B1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO CELTIQUE SA (LU) 2010-05-12 EP claimed