SCHEMBL10680545

SCHEMBL10680545

CCOC(=O)c1cc(C(=O)c2ccccn2)c(CC)[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ CDK5 Q00535 1/20 0.47
▸ CDK5R1 Q15078 1/20 0.47
▸ KDM4E B2RXH2 5/20 0.44
▸ POLB P06746 4/20 0.44
▸ GAA P10253 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GABRP O00591 1/20 0.42
▸ GABRD O14764 1/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ GABRB1 P18505 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42

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
SCHEMBL10675049 0.86 KMT2A (0.43) ALDH1A1L3MBTL1LMNAKDM4EGAA
SCHEMBL10681828 0.85 CDC7 (0.47) ALDH1A1L3MBTL1LMNAKDM4EGAA
SCHEMBL10679859 0.84 CTNNB1 (0.43) ALDH1A1L3MBTL1LMNAKDM4EGAA
SCHEMBL10676766 0.81 CDC7 (0.42) ALDH1A1L3MBTL1LMNAKDM4EGAA
SCHEMBL10684544 0.80 CDK5 (0.54) ALDH1A1L3MBTL1LMNAMAPTCDK5
SCHEMBL7384310 0.78 PDE3B (0.52) ALDH1A1LMNAMAPTKDM4EGAA
SCHEMBL10682007 0.77 ALDH1A1 (0.56) ALDH1A1L3MBTL1LMNAMAPTCDK5
SCHEMBL10676194 0.77 ALDH1A1 (0.52) ALDH1A1L3MBTL1LMNAMAPTCDK5
SCHEMBL10682164 0.76 ALDH1A1 (0.51) ALDH1A1L3MBTL1LMNAMAPTCDK5
SCHEMBL10680104 0.75 KMT2A (0.44) ALDH1A1L3MBTL1LMNAMAPTKDM4E

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-4769380-A Cardiotonic 5-benzoyl-1,2-dihydro-2-oxo-3-pyridinecarboxylates MERRELL DOW PHARMACEUTICALS INC. (US) 1988-09-06 — — US disclosed
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