SCHEMBL9206908

SCHEMBL9206908

CC(O[C]=O)c1cc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
KDM4E B2RXH2 5/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BRD4 O60885 1/20 0.41
MAPT P10636 4/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CHEK1 O14757 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 3/20 0.39
CYP2A6 P11509 1/20 0.39
AOC3 Q16853 2/20 0.38
DAO P14920 2/20 0.38

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
SCHEMBL9209557 0.80 KDM4E (0.42) ALOX5KDM4ELMNATP53L3MBTL1
SCHEMBL831428 0.78 ALOX5 (0.51) ALOX5KDM4ELMNATP53L3MBTL1
SCHEMBL3663172 0.75 ALOX5 (0.55) ALOX5KDM4ELMNATP53L3MBTL1
SCHEMBL4985929 0.75 ALOX5 (0.54) ALOX5KDM4ELMNATP53L3MBTL1
SCHEMBL336690 0.75 ALOX5 (0.54) ALOX5KDM4ELMNATP53L3MBTL1
SCHEMBL30733359 0.75 ALOX5 (0.54) ALOX5KDM4ELMNATP53L3MBTL1
SCHEMBL6039754 0.74 ALOX5 (0.48) ALOX5KDM4ELMNATP53L3MBTL1
SCHEMBL10936048 0.74 ALOX5 (0.44) ALOX5KDM4ELMNATP53L3MBTL1
SCHEMBL19981811 0.72 ALOX5 (0.51) ALOX5KDM4ELMNATP53L3MBTL1
SCHEMBL1706542 0.72 ALOX5 (0.51) ALOX5KDM4ELMNATP53L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5475008-A Selective non-competitive antagonists of n-methyl-d-aspartate receptors MERCK SHARP & DOHME LIMITED (GB) 1995-12-12 US disclosed
EP-0459561-B1 Dioxo-tetrahydroquinoline derivatives MERCK SHARP & DOHME (GB) 1995-09-20 EP disclosed
US-5268378-A Oxo group in 2 and 4 position MERCK SHARP & DOHME, LIMITED (GB) 1993-12-07 US disclosed
EP-0459561-A2 Dioxo-tetrahydroquinoline derivatives MERCK SHARP & DOHME LTD. (GB) 1991-12-04 EP disclosed