SCHEMBL6981005

SCHEMBL6981005

CC(C)(CNC(=O)c1cc(Cl)cc(Cl)c1)CNc1c(Nc2cccnc2Cl)c(=O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 2/20 0.36
NNMT P40261 1/20 0.36
CACNA1I Q9P0X4 2/20 0.36
MEN1 O00255 3/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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) POLBALDH1A1HTTMAPK1NPC1
SCHEMBL6988211 0.90 POLB (0.40) POLBALDH1A1HTTMAPK1NPC1
SCHEMBL6985151 0.88 KMT2A (0.55) POLBALDH1A1HTTMAPK1NPC1
SCHEMBL6991687 0.87 KMT2A (0.42) POLBALDH1A1HTTMAPK1NPC1
SCHEMBL6990458 0.82 CSF1R (0.44) ALDH1A1NPC1RAB9AKMT2ALMNA
SCHEMBL6989465 0.82 NPC1 (0.41) POLBHTTNPC1RAB9AKMT2A
SCHEMBL6990394 0.79 NPC1 (0.40) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL6991619 0.77 TYK2 (0.37) MAPT
SCHEMBL4256402 0.77 POLB (0.42) POLBALDH1A1HTTMAPK1NPC1
SCHEMBL4256399 0.77 POLB (0.42) POLBALDH1A1HTTMAPK1NPC1

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