SCHEMBL18669196

SCHEMBL18669196

Nc1cccc2c1C(=O)N(Cc1cc(C(F)(F)F)ccc1Cl)C2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
MAPT P10636 3/20 0.54
MAPK1 P28482 2/20 0.54
TRAP1 Q12931 3/20 0.49
CHRM5 P08912 3/20 0.46
CHRM3 P20309 1/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
ATM Q13315 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSP90AA1 P07900 1/20 0.44
HSP90B1 P14625 1/20 0.44
ACHE P22303 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL18669233 0.86 CHRM5 (0.50) MAPTTRAP1CHRM5CHRM3MEN1
SCHEMBL18669089 0.84 KDM4E (0.67) KDM4EMAPTMAPK1MEN1KMT2A
SCHEMBL18669206 0.83 CA1 (0.52) MAPK1TRAP1CHRM5CHRM3MEN1
SCHEMBL18669181 0.81 AHR (0.43) KDM4EMAPTTRAP1CHRM5CHRM3
SCHEMBL18669061 0.77 SMN1; SMN2 (0.46) KDM4EMAPTMAPK1MEN1KMT2A
SCHEMBL18668938 0.76 MEN1 (0.43) KDM4EMAPTMAPK1MEN1KMT2A
SCHEMBL18668986 0.75 MAPT (0.73) KDM4EMAPTMAPK1MEN1KMT2A
SCHEMBL18668947 0.74 KDM4E (0.63) KDM4EMAPTMAPK1MEN1KMT2A
SCHEMBL18669001 0.71 CA9 (0.55) CHRM5CHRM3HPGD
SCHEMBL18688197 0.70 MAPT (0.76) KDM4EMAPTMAPK1MEN1KMT2A

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
WO-2017049409-A1 COMPOSITIONS FOR PROMOTING READTHROUGH OF PREMATURE TERMINATION CODONS, AND METHODS OF USING THE SAME THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2017-03-30 WO disclosed
WO-2017049409-A1 COMPOSITIONS FOR PROMOTING READTHROUGH OF PREMATURE TERMINATION CODONS, AND METHODS OF USING THE SAME THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2017-03-30 WO disclosed