SCHEMBL6989562

SCHEMBL6989562

NC(=O)c1cccc2c1-c1ccccc1C2=O.O=C(Cl)c1cccc2c1-c1ccccc1C2=O

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 4/20 0.84
NFE2L2 Q16236 1/20 0.84
ALDH1A1 P00352 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 3/20 0.48
TP53 P04637 1/20 0.47
ATM Q13315 1/20 0.46
GRK6 P43250 1/20 0.45
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44
PTPRC P08575 1/20 0.43

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
SCHEMBL4930390 0.92 KEAP1 (1.00) KEAP1NFE2L2ALDH1A1L3MBTL1KMT2A
SCHEMBL2076642 0.92 KEAP1 (0.68) KEAP1NFE2L2ALDH1A1L3MBTL1KMT2A
SCHEMBL8675450 0.84 ALDH1A1 (0.70) KEAP1NFE2L2ALDH1A1L3MBTL1KMT2A
SCHEMBL7121384 0.84 KEAP1 (0.86) KEAP1NFE2L2ALDH1A1L3MBTL1KMT2A
SCHEMBL27637350 0.83 KEAP1 (0.83) KEAP1NFE2L2ALDH1A1L3MBTL1KMT2A
SCHEMBL2402121 0.79 ALDH1A1 (0.50) KEAP1NFE2L2ALDH1A1L3MBTL1KMT2A
SCHEMBL3605803 0.79 KEAP1 (0.75) KEAP1NFE2L2ALDH1A1GRK6MAPT
SCHEMBL678363 0.78 ALDH1A1 (0.70) KEAP1NFE2L2ALDH1A1L3MBTL1POLB
SCHEMBL7829487 0.78 KEAP1 (0.73) KEAP1NFE2L2ALDH1A1L3MBTL1POLB
SCHEMBL11835545 0.76 TTR (0.49) KEAP1NFE2L2ALDH1A1L3MBTL1KMT2A

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