SCHEMBL7307747

SCHEMBL7307747

CC(C)C(=O)Nc1ccc(C2=NNC(=O)CC2C)cc1N

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 15/20 0.60
PDE3A Q14432 15/20 0.60
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 3/20 0.54
GALR3 O60755 2/20 0.54
THRB P10828 1/20 0.54
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50

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
SCHEMBL11289838 0.95 PDE3B (0.55) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7320976 0.88 PDE3B (0.54) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7315143 0.88 PDE3B (0.54) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10741604 0.87 PDE3B (0.77) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL16157001 0.87 PDE3B (0.77) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11366161 0.87 PDE3B (0.57) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7311327 0.85 PDE3B (0.52) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7326436 0.84 PDE3B (0.51) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10738851 0.84 GALR3 (0.58) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL9781523 0.83 GALR3 (0.62) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1

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
US-4361563-A CARDIOTONIC, ANTITHROMBOTIC DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-11-30 US disclosed
EP-0008391-A1 Benzimidazoles, their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1980-03-05 EP disclosed