SCHEMBL7342402

SCHEMBL7342402

CCC1=C(c2ccc(-n3ccnc3C)c([N+](=O)[O-])c2)CNC1=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ PDE4B Q07343 5/20 0.39
▸ PDE4A P27815 4/20 0.39
▸ PDE4C Q08493 4/20 0.39
▸ PDE4D Q08499 4/20 0.39
▸ PDE2A O00408 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ PDE3B Q13370 2/20 0.34
▸ PDE3A Q14432 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ADH5 P11766 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL7350046 0.89 ALDH1A1 (0.55) KDM4EALDH1A1PDE4BPDE4APDE4C
SCHEMBL10518063 0.83 KDM4E (0.49) KDM4EALDH1A1PDE4BPDE4APDE4C
SCHEMBL10517749 0.83 ALDH1A1 (0.52) KDM4EALDH1A1PDE4BPDE4APDE4C
SCHEMBL7349137 0.83 PDE4B (0.39) KDM4EALDH1A1PDE4BPDE4APDE4C
SCHEMBL7345593 0.82 GRIK1 (0.47) —
SCHEMBL10517424 0.79 PDE3B (0.42) KDM4EALDH1A1PDE4BPDE4APDE4C
SCHEMBL7343758 0.78 PDE3B (0.51) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL7345017 0.77 LMNA (0.44) ALDH1A1MAPTPDE3BPDE3ARAB9A
SCHEMBL10517755 0.73 ALDH1A1 (0.52) KDM4EALDH1A1MAPTATMRAB9A
SCHEMBL10518068 0.73 KDM4E (0.49) KDM4EALDH1A1MAPTATMRAB9A

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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