SCHEMBL6985151

SCHEMBL6985151

Cc1cccc(C(=O)NCC(C)(C)CNc2c(Nc3cccnc3Cl)c(=O)c2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
TP53 P04637 1/20 0.38
LMNA P02545 2/20 0.38
ELOVL6 Q9H5J4 1/20 0.37
MAPT P10636 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
ELANE P08246 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL6983249 0.92 KMT2A (0.44) KMT2AMEN1POLBALDH1A1MAPK1
SCHEMBL6991687 0.90 KMT2A (0.42) KMT2AMEN1POLBALDH1A1MAPK1
SCHEMBL6981005 0.88 POLB (0.42) KMT2AMEN1POLBALDH1A1MAPK1
SCHEMBL6988211 0.86 POLB (0.40) KMT2AMEN1POLBALDH1A1MAPK1
SCHEMBL6989571 0.83 KMT2A (0.50) KMT2AMEN1POLBALDH1A1MAPK1
SCHEMBL6985145 0.79 KMT2A (0.56) KMT2AMEN1POLBALDH1A1MAPK1
SCHEMBL6989465 0.77 NPC1 (0.41) KMT2AMEN1POLBHTTRAB9A
SCHEMBL6990394 0.77 NPC1 (0.40) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL6989095 0.76 KMT2A (0.50) KMT2AMEN1POLBALDH1A1MAPK1
SCHEMBL6986333 0.75 MEN1 (0.48) KMT2AMEN1POLBALDH1A1RAB9A

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 4 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
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