SCHEMBL6990616

SCHEMBL6990616

CC(C)(CNC(=O)c1cccc(Cl)c1)CNc1c(Nc2cnccn2)c(=O)c1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
POLB P06746 1/20 0.41
GRM5 P41594 4/20 0.40
NPC1 O15118 2/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
LCK P06239 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
SCHEMBL6986333 0.86 MEN1 (0.48) KMT2AMEN1POLBGRM5NPC1
SCHEMBL4367794 0.84 GRM5 (0.45) KMT2AMEN1GRM5NPC1NPSR1
SCHEMBL4366803 0.83 NPC1 (0.36) KMT2ANPC1ALOX15TSHRCASP1
SCHEMBL6983249 0.82 KMT2A (0.44) KMT2AMEN1POLBGRM5NPC1
SCHEMBL6987283 0.79 KMT2A (0.44) KMT2AMEN1POLBGRM5ALOX15
SCHEMBL6990458 0.78 CSF1R (0.44) KMT2AMEN1NPC1TSHRRAB9A
SCHEMBL6981925 0.75 NAMPT (0.50) KMT2AMEN1NPC1TSHRRAB9A
SCHEMBL6987131 0.75 GRM5 (0.44) KMT2AMEN1GRM5NPC1TSHR
SCHEMBL6988714 0.75 SIRT2 (0.43) KMT2AMEN1POLBRAB9AALDH1A1
SCHEMBL6981005 0.74 POLB (0.42) KMT2AMEN1POLBNPC1NPSR1

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 disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed