SCHEMBL7345017

SCHEMBL7345017

CCC1=C(c2ccc(F)c([N+](=O)[O-])c2)CNC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.44
▸ MAPT P10636 6/20 0.44
▸ HTT P42858 3/20 0.44
▸ ALDH1A1 P00352 5/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ VCAM1 P19320 1/20 0.38
▸ RECQL P46063 1/20 0.36
▸ CFTR P13569 1/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ MITF O75030 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33

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
SCHEMBL7340697 0.83 LMNA (0.47) LMNAMAPTHTTALDH1A1HIF1A
SCHEMBL7342402 0.77 KDM4E (0.52) MAPTALDH1A1RAB9APOLBPDE3B
SCHEMBL7345593 0.77 GRIK1 (0.47) —
SCHEMBL10517749 0.72 ALDH1A1 (0.52) LMNAMAPTHTTALDH1A1CFTR
SCHEMBL11579276 0.71 ALDH1A1 (0.67) LMNAMAPTHTTALDH1A1HIF1A
SCHEMBL31023151 0.67 ALDH1A1 (0.56) LMNAMAPTHTTALDH1A1HIF1A
SCHEMBL10315544 0.67 ALDH1A1 (0.56) LMNAMAPTHTTALDH1A1HIF1A
SCHEMBL6313481 0.66 ALDH1A1 (0.60) LMNAMAPTHTTALDH1A1HIF1A
Sulfur Dioxide SCHEMBL21643667 0.66 ALDH1A1 (0.60) LMNAMAPTHTTALDH1A1HIF1A
SCHEMBL6314467 0.65 ALDH1A1 (0.58) LMNAMAPTHTTALDH1A1HIF1A

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-0329691-B1 CARDIOTONIC IMIDAZOLYLPHENYLPYRROL-2-ONES SCHERING AKTIENGESELLSCHAFT (DE) 1991-11-21 — — EP disclosed
EP-0329691-A1 CARDIOTONIC IMIDAZOLYLPHENYLPYRROL-2-ONES. SCHERING AG (DE) 1989-08-30 — — EP disclosed
WO-1988003531-A1 CARDIOTONIC IMIDAZOLYLPHENYLPYRROL-2-ONES SCHERING AKTIENGESELLSCHAFT (DE) 1988-05-19 — — WO disclosed
US-4737511-A Cardiotonic imidazolylphenylpyrrol-2-ones SCHERING A.G. (DE) 1988-04-12 — — US disclosed
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