SCHEMBL7350046

SCHEMBL7350046

CC1=C(c2ccc(-n3ccnc3C)c([N+](=O)[O-])c2)CNC1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MAPT P10636 4/20 0.36
▸ ATM Q13315 1/20 0.36
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PDE4A P27815 2/20 0.35
▸ PDE4B Q07343 2/20 0.35
▸ PDE4C Q08493 2/20 0.35
▸ PDE4D Q08499 2/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 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
SCHEMBL10518063 0.94 KDM4E (0.49) ALDH1A1KDM4EMAPTATMPDE3B
SCHEMBL10517749 0.94 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTATMPDE3B
SCHEMBL7342402 0.89 KDM4E (0.52) ALDH1A1KDM4EMAPTATMPDE3B
SCHEMBL7342548 0.82 PDE3B (0.38) ALDH1A1KDM4EPDE3BPDE3APDE4A
SCHEMBL7344749 0.80 GRIK1 (0.49) —
SCHEMBL10518068 0.78 KDM4E (0.49) ALDH1A1KDM4EMAPTATMRAB9A
SCHEMBL10517755 0.78 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTATMRAB9A
SCHEMBL7341161 0.76 PDE3B (0.54) ALDH1A1PDE3BPDE3APDE4APDE4B
SCHEMBL7340697 0.75 LMNA (0.47) ALDH1A1MAPTATMMEN1KMT2A
SCHEMBL31213128 0.70 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTATMKMT2A

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-B1 CARDIOTONIC IMIDAZOLYLPHENYLPYRROL-2-ONES SCHERING AKTIENGESELLSCHAFT (DE) 1991-11-21 — — EP disclosed
US-4737511-A Cardiotonic imidazolylphenylpyrrol-2-ones SCHERING A.G. (DE) 1988-04-12 — — US disclosed
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