SCHEMBL7316019

SCHEMBL7316019

CC1CC(=O)NN=C1c1ccc(NC(=O)C2CC2)c([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 3/20 0.68
MAPT P10636 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
THRB P10828 1/20 0.62
ALDH1A1 P00352 3/20 0.60
GAA P10253 1/20 0.60
PDE3B Q13370 16/20 0.57
PDE3A Q14432 16/20 0.57
SLFN12 Q8IYM2 1/20 0.57
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
KDM4E B2RXH2 1/20 0.50
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46

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
SCHEMBL7314674 0.95 MAPT (0.65) GALR3MAPTSMN1; SMN2THRBALDH1A1
SCHEMBL16156975 0.89 MAPT (0.71) GALR3MAPTSMN1; SMN2THRBALDH1A1
SCHEMBL7315454 0.89 MAPT (0.71) GALR3MAPTSMN1; SMN2THRBALDH1A1
SCHEMBL21241281 0.85 GALR3 (0.69) GALR3MAPTSMN1; SMN2THRBALDH1A1
SCHEMBL10332954 0.84 GALR3 (0.74) GALR3MAPTSMN1; SMN2THRBALDH1A1
SCHEMBL22910178 0.84 GALR3 (0.68) GALR3MAPTSMN1; SMN2THRBALDH1A1
SCHEMBL21241617 0.83 GALR3 (0.65) GALR3MAPTSMN1; SMN2THRBALDH1A1
SCHEMBL9781445 0.83 MAPT (0.65) GALR3MAPTSMN1; SMN2THRBALDH1A1
SCHEMBL7321438 0.83 GALR3 (0.70) GALR3MAPTSMN1; SMN2THRBALDH1A1
SCHEMBL22910062 0.83 MAPT (0.64) GALR3MAPTSMN1; 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