SCHEMBL8784262

SCHEMBL8784262

COC(=O)c1ccc(Cl)cc1N(C(C)=O)c1cccc(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.50
▸ POLB P06746 1/20 0.43
▸ MCOLN3 Q8TDD5 1/20 0.43
▸ GAA P10253 3/20 0.42
▸ NR4A2 P43354 2/20 0.37
▸ MAPT P10636 5/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ HPGD P15428 4/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SLC6A3 Q01959 3/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ ATM Q13315 2/20 0.36

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
SCHEMBL27388946 0.86 ABL1 (0.49) ABL1POLBMCOLN3NR4A2MAPT
SCHEMBL8783964 0.83 POLB (0.45) ABL1POLBMCOLN3NR4A2MAPT
SCHEMBL29110277 0.80 CYP11B2 (0.43) ABL1POLBMCOLN3NR4A2MEN1
SCHEMBL8784727 0.79 POLB (0.40) ABL1POLBMCOLN3GAAMAPT
SCHEMBL8784194 0.78 CYP4F2 (0.40) ABL1POLBMCOLN3GAANR4A2
SCHEMBL29110340 0.78 POLB (0.48) ABL1POLBMCOLN3GAANR4A2
SCHEMBL27388939 0.73 ABL1 (0.51) ABL1POLBMCOLN3NR4A2MAPT
SCHEMBL8784285 0.73 POLB (0.42) ABL1POLBMCOLN3GAAMAPT
SCHEMBL6649136 0.72 ABL1 (0.60) ABL1POLBMCOLN3GAANR4A2
SCHEMBL771687 0.68 ABL1 (1.00) ABL1GAANR4A2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481676-B1 Hydroxyquinolone derivatives MERCK SHARP & DOHME (GB) 1997-01-29 — — EP disclosed
US-5559125-A NMDA AND AMPA RECEPTOR ANTAGONISTS, SCHIZOPHRENIA MERCK, SHARP & DOHME LIMITED (GB) 1996-09-24 — — US disclosed
EP-0481676-A1 Hydroxyquinolone derivatives MERCK SHARP & DOHME LTD. (GB) 1992-04-22 — — EP disclosed
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