SCHEMBL7275977

SCHEMBL7275977

CC1CC(=O)NN=C1c1ccc(NCCCCNC(=N)NCCCc2c[nH]cn2)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
GALR3 O60755 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
PDE3B Q13370 11/20 0.48
PDE3A Q14432 11/20 0.48
ALDH1A1 P00352 3/20 0.48
SLFN12 Q8IYM2 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.47
HRH3 Q9Y5N1 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
PRSS1 P07477 1/20 0.35

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
SCHEMBL7267466 0.97 MAPT (0.62) MAPTGALR3SMN1; SMN2PDE3BPDE3A
SCHEMBL7273816 0.93 GALR3 (0.69) MAPTGALR3SMN1; SMN2PDE3BPDE3A
SCHEMBL7266722 0.89 MAPT (0.51) MAPTGALR3SMN1; SMN2PDE3BPDE3A
SCHEMBL7292060 0.88 MAPT (0.58) MAPTGALR3SMN1; SMN2PDE3BPDE3A
SCHEMBL7292075 0.88 MAPT (0.58) MAPTGALR3SMN1; SMN2PDE3BPDE3A
SCHEMBL7294721 0.87 MAPT (0.61) MAPTGALR3SMN1; SMN2PDE3BPDE3A
SCHEMBL7294730 0.87 MAPT (0.58) MAPTGALR3SMN1; SMN2PDE3BPDE3A
SCHEMBL7268788 0.86 MAPT (0.59) MAPTGALR3SMN1; SMN2PDE3BPDE3A
SCHEMBL10429893 0.85 MAPT (0.44) MAPTGALR3SMN1; SMN2PDE3BPDE3A
SCHEMBL7267790 0.85 MAPT (0.47) MAPTGALR3SMN1; SMN2PDE3BPDE3A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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