SCHEMBL20208575

SCHEMBL20208575

CCc1nc2ncc(-c3ccc(OC(F)(F)F)cc3)cn2c1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 14/20 0.45
SCN1A P35498 2/20 0.41
SCN2A Q99250 2/20 0.41
CACNA2D1 P54289 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KCNH2 Q12809 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
RXRA P19793 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL20209001 0.78 SCN5A (0.52) SCN5ASCN1ASCN2AKDM4ENPC1
SCHEMBL20190662 0.78 SCN5A (0.47) SCN5ASCN1ASCN2AKDM4ENPC1
SCHEMBL20190225 0.78 SCN5A (0.50) SCN5ASCN1ASCN2AKDM4ENPC1
SCHEMBL20189412 0.74 GRM5 (0.48) SCN5AKDM4ENPC1ALDH1A1GAA
SCHEMBL23572498 0.73 SCN5A (0.52) SCN5ASCN1ASCN2AKDM4ENPC1
SCHEMBL20208519 0.73 SCN5A (0.71) SCN5ASCN1ASCN2AKDM4ENPC1
SCHEMBL26539098 0.72 SCN5A (0.52) SCN5ASCN1ASCN2AKDM4ENPC1
SCHEMBL20203710 0.71 SCN5A (0.65) SCN5ASCN1ASCN2A
SCHEMBL20209224 0.71 SCN5A (0.56) SCN5ASCN1ASCN2A
SCHEMBL9061989 0.69 CHRM5 (0.46) SCN5ASCN1ASCN2AKCNH2SCN10A

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
WO-2018098500-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-05-31 WO disclosed