SCHEMBL4740388

SCHEMBL4740388

O=Cc1cc2ccccc2nc1OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
GAA P10253 3/20 0.69
SMN1; SMN2 Q16637 6/20 0.51
HTT P42858 5/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
STAT3 P40763 2/20 0.51
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 6/20 0.45
MAPT P10636 5/20 0.45
NPSR1 Q6W5P4 3/20 0.45
HPGD P15428 3/20 0.45
RXFP1 Q9HBX9 2/20 0.45
POLB P06746 2/20 0.45
PDE5A O76074 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 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
SCHEMBL31664562 0.82 ALDH1A1 (1.00) ALDH1A1GAASMN1; SMN2HTTKDM4E
SCHEMBL31108064 0.79 L3MBTL1 (0.46) ALDH1A1GAASMN1; SMN2HTTL3MBTL1
SCHEMBL20595429 0.79 L3MBTL1 (0.46) ALDH1A1GAASMN1; SMN2HTTL3MBTL1
SCHEMBL4279550 0.79 L3MBTL1 (0.54) ALDH1A1GAASMN1; SMN2HTTL3MBTL1
SCHEMBL27188742 0.78 ALDH1A1 (0.68) ALDH1A1GAASMN1; SMN2HTTL3MBTL1
SCHEMBL1551850 0.77 L3MBTL1 (0.55) SMN1; SMN2HTTL3MBTL1STAT3KDM4E
SCHEMBL30986715 0.77 L3MBTL1 (0.55) ALDH1A1GAASMN1; SMN2HTTL3MBTL1
SCHEMBL28485531 0.77 L3MBTL1 (0.64) ALDH1A1GAASMN1; SMN2HTTL3MBTL1
SCHEMBL31574614 0.77 L3MBTL1 (0.55) ALDH1A1GAASMN1; SMN2HTTL3MBTL1
SCHEMBL5445494 0.76 ALDH1A1 (0.69) ALDH1A1GAASMN1; SMN2HTTL3MBTL1

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
WO-2008081096-A2 QUINOLINYL DERIVATIVES, METHOD FOR PREPARING SAME, PHARMACEUTIC COMPOSITIONS CONTAINING SAME, AND USE THEREOF AS HYPOGLYCEMIANT AND HYPOLIPEMIANT AGENTS LES LABORATOIRES SERVIER (FR) 2008-07-10 WO disclosed