SCHEMBL10680362

SCHEMBL10680362

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.48
▸ TDP1 Q9NUW8 3/20 0.44
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 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

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 0.89 GAA (0.49) SRD5A2TDP1MAPTALDH1A1HTT
SCHEMBL10681674 0.86 ALDH1A1 (0.50) SRD5A2TDP1MAPTALDH1A1HTT
SCHEMBL10680708 0.86 MAPT (0.49) TDP1MAPTALDH1A1MAPK1POLB
SCHEMBL10680367 0.85 GAA (0.43) SRD5A2TDP1MAPTALDH1A1HTT
SCHEMBL10681150 0.83 UCHL1 (0.50) SRD5A2TDP1MAPTALDH1A1KDM4E
SCHEMBL7382511 0.82 PDE3B (0.43) SRD5A2TDP1MAPTALDH1A1HTT
SCHEMBL10684520 0.82 UCHL1 (0.46) MAPTHTTKDM4ELMNAGAA
SCHEMBL10677653 0.80 UCHL1 (0.53) TDP1MAPTALDH1A1HTTMAPK1
SCHEMBL10680841 0.80 MAPK1 (0.45) SRD5A2TDP1MAPTALDH1A1HTT
SCHEMBL10681743 0.80 PDE3B (0.53) TDP1MAPTALDH1A1KDM4ENPSR1

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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