SCHEMBL7274069

SCHEMBL7274069

CC1CC(=O)NN=C1c1ccc(N2CCN(C(=O)NCCCc3c[nH]cn3)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
GALR3 O60755 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
THRB P10828 1/20 0.46
PDE3B Q13370 11/20 0.45
PDE3A Q14432 11/20 0.45
ALDH1A1 P00352 3/20 0.45
SLFN12 Q8IYM2 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
GAA P10253 1/20 0.45
GPR119 Q8TDV5 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
KDM4E B2RXH2 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
GFER P55789 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
SCHEMBL7267790 0.88 MAPT (0.47) MAPTGALR3SMN1; SMN2THRBPDE3B
SCHEMBL7269190 0.86 MAPT (0.46) MAPTGALR3SMN1; SMN2THRBPDE3B
SCHEMBL7298909 0.84 MAPT (0.45) MAPTGALR3SMN1; SMN2THRBPDE3B
SCHEMBL7273730 0.83 MAPT (0.42) MAPTGALR3SMN1; SMN2THRBPDE3B
SCHEMBL10482920 0.82 MAPT (0.47) MAPTGALR3SMN1; SMN2THRBPDE3B
SCHEMBL7273816 0.81 GALR3 (0.69) MAPTGALR3SMN1; SMN2THRBPDE3B
SCHEMBL7292146 0.80 MAPT (0.47) MAPTGALR3SMN1; SMN2THRBPDE3B
SCHEMBL7290853 0.80 MAPT (0.45) MAPTGALR3SMN1; SMN2THRBPDE3B
SCHEMBL7292139 0.80 MAPT (0.46) MAPTGALR3SMN1; SMN2THRBPDE3B
SCHEMBL7275977 0.80 MAPT (0.62) MAPTGALR3SMN1; SMN2THRBPDE3B

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