SCHEMBL7415688

SCHEMBL7415688

CC(=Cc1ccc(-n2cnc3ccccc32)cc1)[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 1/20 0.52
▸ FGFR1 P11362 4/20 0.52
▸ HTT P42858 3/20 0.50
▸ MGAM O43451 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ SI P14410 1/20 0.48
▸ MGAM2 Q2M2H8 1/20 0.48
▸ P4HB P07237 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.45

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
SCHEMBL7415685 1.00 FBP1 (0.52) FBP1FGFR1HTTMGAMGAA
SCHEMBL29512158 0.76 FGFR1 (0.72) FGFR1HTTMGAMGAASI
SCHEMBL2568999 0.76 FGFR1 (0.72) FGFR1HTTMGAMGAASI
SCHEMBL3834819 0.76 FGFR1 (0.72) FGFR1HTTALDH1A1
SCHEMBL8388880 0.75 HTT (0.70) FGFR1HTTMGAMGAASI
SCHEMBL30402227 0.74 HTT (0.88) FGFR1HTTALDH1A1
SCHEMBL3419279 0.74 HTT (0.88) FGFR1HTTALDH1A1
SCHEMBL7404429 0.73 PDE3B (0.47) FBP1ALDH1A1
SCHEMBL7404431 0.73 PDE3B (0.47) FBP1ALDH1A1
SCHEMBL10758359 0.73 ALDH1A1 (0.58) FBP1MGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0102227-B1 2(1H)-PYRIDINONES, USEFUL AS CARDIOTONIC AGENTS, AND THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1989-05-03 — — EP disclosed
US-4607037-A Cardiotonic 2(1H)-pyridinones WARNER-LAMBERT COMPANY (US) 1986-08-19 — — US disclosed
US-4503061-A Substituted phenyl-pyridinones as cardiotonic agents WARNER-LAMBERT COMPANY (US) 1985-03-05 — — US disclosed
EP-0102227-A2 2(1H)-pyridinones, useful as cardiotonic agents, and their production WARNER-LAMBERT COMPANY (US) 1984-03-07 — — EP disclosed
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