SCHEMBL7100709

SCHEMBL7100709

CN1C(=O)C(=NN)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 5/20 0.65
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA12 O43570 2/20 0.60
CA9 Q16790 2/20 0.60
LRRK2 Q5S007 1/20 0.59
CES1 P23141 1/20 0.58
MAPT P10636 6/20 0.58
RAB9A P51151 2/20 0.58
MAPK1 P28482 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KMT2A Q03164 6/20 0.54
ALDH1A1 P00352 5/20 0.54
HPGD P15428 3/20 0.54
F2 P00734 1/20 0.54
ATM Q13315 1/20 0.54
CA4 P22748 1/20 0.53
CA7 P43166 1/20 0.53
HSP90AA1 P07900 2/20 0.49

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
SCHEMBL21999876 1.00 TTR (0.65) TTRCA1CA2CA12CA9
SCHEMBL25136853 0.83 TTR (0.67) TTRCA1CA2CA12CA9
SCHEMBL13114100 0.83 TTR (0.67) TTRCA1CA2CA12CA9
SCHEMBL13994611 0.81 TTR (0.65) TTRCA1CA2CA12CA9
SCHEMBL5194875 0.81 TTR (0.65) TTRCA1CA2CA12CA9
SCHEMBL5194860 0.81 TTR (0.65) TTRCA1CA2CA12CA9
SCHEMBL13083503 0.79 CES1 (0.41) TTRCA1CA2CA12CA9
SCHEMBL29072976 0.79 TTR (1.00) TTRCA1CA2CA12CA9
SCHEMBL25137097 0.79 TTR (1.00) TTRCA1CA2CA12CA9
SCHEMBL12235577 0.79 TTR (1.00) TTRCA1CA2CA12CA9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030158237-A1 Combination of antioxidant substances for the treatment of alzheimer's disease COLBA R & D INC. (CA) 2003-08-21 US disclosed