SCHEMBL7299404

SCHEMBL7299404

CC1CC(=O)NN=C1c1ccc(N2CCN(C(N)=S)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 3/20 0.62
MAPT P10636 3/20 0.62
THRB P10828 1/20 0.62
ALDH1A1 P00352 2/20 0.57
GAA P10253 1/20 0.57
PDE3B Q13370 11/20 0.55
PDE3A Q14432 11/20 0.55
SLFN12 Q8IYM2 1/20 0.55
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GPR119 Q8TDV5 4/20 0.46
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
SCHEMBL7266778 0.89 MAPT (0.61) GALR3MAPTTHRBALDH1A1GAA
SCHEMBL10475494 0.85 GALR3 (0.58) GALR3MAPTTHRBALDH1A1GAA
SCHEMBL16157089 0.85 MAPT (0.67) GALR3MAPTTHRBALDH1A1GAA
SCHEMBL7266897 0.84 GPR119 (0.65) GALR3MAPTTHRBALDH1A1GAA
SCHEMBL7266508 0.84 GALR3 (0.67) GALR3MAPTTHRBALDH1A1GAA
SCHEMBL7266917 0.84 GALR3 (0.66) GALR3MAPTTHRBALDH1A1GAA
SCHEMBL7276978 0.83 GALR3 (0.62) GALR3MAPTTHRBALDH1A1GAA
SCHEMBL10472928 0.83 PDE3B (0.70) GALR3MAPTTHRBALDH1A1GAA
SCHEMBL7294835 0.83 MAPT (0.51) GALR3MAPTTHRBALDH1A1GAA
SCHEMBL7276577 0.83 PDE3B (0.51) GALR3MAPTTHRBALDH1A1PDE3B

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-0339208-B1 6-Oxopyridazine derivatives, process for their preparation and medicaments containing these compounds HEUMANN PHARMA GMBH & CO (DE) 1996-02-07 EP disclosed
US-4968683-A INOTROPIC, CARDIOTONIC HEUMANN PHARMA GMBH & CO. (DE) 1990-11-06 US disclosed