SCHEMBL7314674

SCHEMBL7314674

CC1CC(=O)NN=C1c1ccc(NC(=O)C2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
GALR3 O60755 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
THRB P10828 1/20 0.59
ALDH1A1 P00352 4/20 0.57
GAA P10253 1/20 0.57
PDE3B Q13370 14/20 0.55
PDE3A Q14432 14/20 0.55
SLFN12 Q8IYM2 1/20 0.55
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.55
KDM4E B2RXH2 1/20 0.48
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
GPR119 Q8TDV5 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL7316019 0.95 GALR3 (0.68) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL7315454 0.86 MAPT (0.71) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL16156975 0.86 MAPT (0.71) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL7316098 0.85 PDE3B (0.57) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL21241281 0.82 GALR3 (0.69) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL10332954 0.82 GALR3 (0.74) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL22910178 0.82 GALR3 (0.68) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL21241617 0.81 GALR3 (0.65) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL21241615 0.81 GALR3 (0.65) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL9781445 0.81 MAPT (0.65) MAPTGALR3SMN1; SMN2THRBALDH1A1

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