SCHEMBL9772804

SCHEMBL9772804

c1ccc(COc2nccn3cccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.50
ATP4B P51164 1/20 0.50
CNR2 P34972 4/20 0.47
CNR1 P21554 3/20 0.47
ACHE P22303 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
LTA4H P09960 1/20 0.38
MAPK14 Q16539 1/20 0.38
PDE5A O76074 1/20 0.38
ABCB1 P08183 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
DAPK1 P53355 1/20 0.38
MAPT P10636 1/20 0.37
ROCK1 Q13464 1/20 0.37

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
SCHEMBL7013077 0.76 MAPT (0.52) ATP4AATP4BL3MBTL1MAPK1LTA4H
SCHEMBL10916933 0.75 ATP4A (0.57) ATP4AATP4BCNR2CNR1ACHE
SCHEMBL24215198 0.74 L3MBTL1 (0.53) ATP4AATP4BCNR2CNR1ACHE
SCHEMBL183867 0.74 ATP4A (0.51) ATP4AATP4BL3MBTL1MAPK1LTA4H
SCHEMBL9772428 0.72 KDM4E (0.46) L3MBTL1ALDH1A1HPGDHTTMAPT
SCHEMBL10202932 0.72 DRD1 (0.37) MAPK1HTT
SCHEMBL9772371 0.70 HPGD (0.38) L3MBTL1HPGDHTTMAPT
SCHEMBL9772488 0.70 HPGD (0.38) L3MBTL1HPGDHTTMAPTHTR2A
SCHEMBL9772506 0.70 ALDH1A1 (0.47) L3MBTL1ALDH1A1MAPK1LMNAHPGD
SCHEMBL11005085 0.70 ATP4A (0.78) ATP4AATP4BCNR2CNR1ACHE

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-5041442-A Antiulcer agents SYNTEX (U.S.A.) INC. (US) 1991-08-20 US disclosed