SCHEMBL7340697

SCHEMBL7340697

CC1=C(c2ccc(F)c([N+](=O)[O-])c2)CNC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 8/20 0.47
▸ MAPT P10636 6/20 0.47
▸ HTT P42858 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ VCAM1 P19320 1/20 0.41
▸ DAPK3 O43293 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ MITF O75030 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RECQL P46063 2/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ CFTR P13569 1/20 0.35
▸ WDR5 P61964 1/20 0.35

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
SCHEMBL10517749 0.84 ALDH1A1 (0.52) LMNAMAPTHTTALDH1A1CFTR
SCHEMBL7345017 0.83 LMNA (0.44) LMNAMAPTHTTALDH1A1HIF1A
SCHEMBL7350046 0.75 ALDH1A1 (0.55) LMNAMAPTALDH1A1GAAMEN1
SCHEMBL7344749 0.75 GRIK1 (0.49) —
SCHEMBL11579276 0.74 ALDH1A1 (0.67) LMNAMAPTHTTALDH1A1HIF1A
SCHEMBL7345190 0.73 GRM2 (0.43) MAPTDAPK3NTRK1PIM1FLT3
SCHEMBL10518063 0.71 KDM4E (0.49) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL6313481 0.69 ALDH1A1 (0.60) LMNAMAPTHTTALDH1A1HIF1A
Sulfur Dioxide SCHEMBL21643667 0.69 ALDH1A1 (0.60) LMNAMAPTHTTALDH1A1HIF1A
SCHEMBL2654598 0.68 ALDH1A1 (0.50) 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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