SCHEMBL10680367

SCHEMBL10680367

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TYMS P04818 1/20 0.43
▸ MAPK1 P28482 4/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ SRD5A2 P31213 1/20 0.41
▸ ESR1 P03372 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTT P42858 1/20 0.39

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
SCHEMBL10684242 0.87 GAA (0.49) GAALMNATDP1MAPTALDH1A1
SCHEMBL10681674 0.86 ALDH1A1 (0.50) GAALMNATDP1MAPTALDH1A1
SCHEMBL10680362 0.85 SRD5A2 (0.48) GAALMNATDP1MAPTALDH1A1
SCHEMBL10675823 0.84 CDC7 (0.38) GAALMNAMAPTALDH1A1MAPK1
SCHEMBL10681969 0.83 MAPT (0.47) GAALMNATDP1MAPTALDH1A1
SCHEMBL7382511 0.82 PDE3B (0.43) GAALMNATDP1MAPTALDH1A1
SCHEMBL10680708 0.81 MAPT (0.49) GAALMNATDP1MAPTALDH1A1
SCHEMBL10682462 0.80 MAPT (0.53) GAALMNAMAPTALDH1A1TYMS
SCHEMBL10680841 0.80 MAPK1 (0.45) GAALMNATDP1MAPTALDH1A1
SCHEMBL10680981 0.75 DRD2 (0.38) GAAMAPTHTTCYP3A4

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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