SCHEMBL3636462

SCHEMBL3636462

CC(=O)c1ccc2nc3ccccc3cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
MAPT P10636 6/20 0.54
HPGD P15428 4/20 0.54
GLA P06280 2/20 0.54
ACHE P22303 1/20 0.54
MAP4K4 O95819 1/20 0.51
CSNK1G2 P78368 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
MAP4K5 Q9Y4K4 1/20 0.51
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 5/20 0.47
KDM4E B2RXH2 4/20 0.47
PABPC1 P11940 1/20 0.47
MGAM O43451 1/20 0.46
CYP2A6 P11509 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL27739759 0.85 ALDH1A1 (0.58) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL31498242 0.84 MGAM (0.61) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL7565802 0.84 MGAM (0.61) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL27418511 0.82 MAPT (0.54) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL29519324 0.82 MAPT (0.54) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL6786850 0.81 HTT (0.68) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL3638626 0.81 ALDH1A1 (0.48) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL9095415 0.81 ALDH1A1 (0.52) ALDH1A1MAPTHPGDGLAACHE
Acridine SCHEMBL11500721 0.81 MAPT (0.68) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL27533701 0.79 ALDH1A1 (0.50) ALDH1A1MAPTHPGDGLAACHE

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-2178843-A2 NEW LIGANDS OF THE BENZO[H]QUINOLINE CLASS AND TRANSITION METAL COMPLEXES CONTAINING THEM AND USE OF SAID COMPLEXES AS CATALYST UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2010-04-28 EP disclosed
WO-2009007443-A2 NEW LIGANDS OF THE BENZO[H]QUINOLINE CLASS AND TRANSITION METAL COMPLEXES CONTAINING THEM AND USE OF SAID COMPLEXES AS CATALYSTS UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2009-01-15 WO disclosed