SCHEMBL10518068

SCHEMBL10518068

CC1=C(c2ccc(-n3ccnc3C)c(N)c2)CN(N2CC(c3ccc(-n4ccnc4C)c([N+](=O)[O-])c3)=C(C)C2=O)C1=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 4/20 0.33
▸ ATM Q13315 1/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ POLB P06746 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL10517755 0.89 ALDH1A1 (0.52) KDM4EALDH1A1MAPTATMTP53
SCHEMBL10518063 0.85 KDM4E (0.49) KDM4EALDH1A1MAPTATMGALR3
SCHEMBL7350046 0.78 ALDH1A1 (0.55) KDM4EALDH1A1MAPTATMTP53
SCHEMBL10517430 0.74 PDE3B (0.39) KDM4EALDH1A1
SCHEMBL7342402 0.73 KDM4E (0.52) KDM4EALDH1A1MAPTATMRAB9A
SCHEMBL10517749 0.73 ALDH1A1 (0.52) KDM4EALDH1A1MAPTATMRAB9A
SCHEMBL7342548 0.73 PDE3B (0.38) KDM4EALDH1A1
SCHEMBL7340318 0.70 PDE3B (0.40) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL7349137 0.68 PDE4B (0.39) KDM4EALDH1A1
SCHEMBL9763201 0.68 PIM1 (0.36) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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