SCHEMBL7267124

SCHEMBL7267124

NC(=S)N1CCN(c2ccc(C3=NNC(=O)CC3)cc2[N+](=O)[O-])CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.41
PDE3A Q14432 7/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
GPR119 Q8TDV5 2/20 0.40
GAA P10253 3/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GALR3 O60755 1/20 0.38
THRB P10828 1/20 0.38
PHGDH O43175 1/20 0.38

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
SCHEMBL7267653 0.83 PDE4A (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7267606 0.83 MAPT (0.60) PDE3BPDE3AGPR119GAAALDH1A1
SCHEMBL10760147 0.82 MAPT (0.53) PDE3BPDE3AGPR119GAAALDH1A1
SCHEMBL7276174 0.82 CCR6 (0.51) GAAALDH1A1PKML3MBTL1MAPT
SCHEMBL7299404 0.82 GALR3 (0.62) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10333086 0.74 MAPT (0.59) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11703472 0.74 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7273670 0.73 PDE3B (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7273841 0.72 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11634895 0.72 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C

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 3 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
EP-0339208-A1 6-Oxopyridazine derivatives, process for their preparation and medicaments containing these compounds HEUMANN PHARMA GMBH & CO (DE) 1989-11-02 EP disclosed