SCHEMBL6989465

SCHEMBL6989465

CC(C)(CNC(=O)c1ccc(Cl)cc1)CNc1c(Nc2cccnc2F)c(=O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 5/20 0.38
GAA P10253 2/20 0.38
KDR P35968 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
PABPC1 P11940 1/20 0.38
EIF4H Q15056 1/20 0.38
TLR7 Q9NYK1 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PPARD Q03181 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
SCHEMBL6988211 0.82 POLB (0.40) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL6981005 0.82 POLB (0.42) NPC1RAB9AL3MBTL1GAAMEN1
SCHEMBL6981925 0.80 NAMPT (0.50) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL6991687 0.80 KMT2A (0.42) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL6983249 0.80 KMT2A (0.44) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL6990741 0.79 GABRA5 (0.35) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL6990809 0.78 MEN1 (0.48) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL6989221 0.78 KCNJ11 (0.45) NPC1RAB9AL3MBTL1GAAKDR
SCHEMBL6985151 0.77 KMT2A (0.55) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL6991619 0.77 TYK2 (0.37) MAPT

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-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP claimed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO claimed