SCHEMBL10684242

SCHEMBL10684242

CCc1[nH]c(=O)c(C(N)=O)cc1C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TSHR P16473 1/20 0.46
▸ MAPT P10636 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPK1 P28482 4/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ SRD5A2 P31213 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TYMS P04818 1/20 0.40
▸ CDC7 O00311 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MMP8 P22894 1/20 0.38
▸ CES1 P23141 1/20 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
SCHEMBL10680362 0.89 SRD5A2 (0.48) GAALMNAMAPTTDP1ALDH1A1
SCHEMBL10680367 0.87 GAA (0.43) GAALMNATSHRMAPTTDP1
SCHEMBL10681674 0.85 ALDH1A1 (0.50) GAALMNAMAPTTDP1ALDH1A1
SCHEMBL10680708 0.85 MAPT (0.49) GAALMNAMAPTTDP1ALDH1A1
SCHEMBL10681929 0.84 CDC7 (0.42) GAALMNATSHRMAPTALDH1A1
SCHEMBL7382511 0.81 PDE3B (0.43) GAALMNAMAPTTDP1ALDH1A1
SCHEMBL10679788 0.81 MAPT (0.49) GAAMAPTALDH1A1NPSR1POLB
SCHEMBL10680841 0.79 MAPK1 (0.45) GAALMNATSHRMAPTTDP1
SCHEMBL10684504 0.74 CDC7 (0.40) TSHRMAPTKDM4ECDC7L3MBTL1
SCHEMBL10684520 0.74 UCHL1 (0.46) GAALMNAMAPTKDM4EKMT2A

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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