SCHEMBL7268573

SCHEMBL7268573

NCCCNc1ccc(C2=NNC(=O)CC2CO)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
GALR3 O60755 3/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
KAT2B Q92831 7/20 0.47
THRB P10828 1/20 0.47
DHFR P00374 1/20 0.44
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SLFN12 Q8IYM2 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.43
PRSS1 P07477 3/20 0.40
CYP2D6 P10635 1/20 0.39

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
SCHEMBL7273931 0.87 GALR3 (0.79) MAPTGALR3SMN1; SMN2KAT2BTHRB
SCHEMBL7267555 0.81 GALR3 (0.81) MAPTGALR3SMN1; SMN2KAT2BTHRB
SCHEMBL7266722 0.79 MAPT (0.51) MAPTGALR3SMN1; SMN2THRBDHFR
SCHEMBL7299089 0.79 MAPT (0.51) MAPTGALR3SMN1; SMN2THRBDHFR
SCHEMBL7276392 0.79 MAPT (0.53) MAPTGALR3SMN1; SMN2THRBDHFR
SCHEMBL16157214 0.79 MAPT (1.00) MAPTGALR3SMN1; SMN2THRBPDE3B
SCHEMBL7299102 0.78 MAPT (0.48) MAPTGALR3SMN1; SMN2THRBDHFR
SCHEMBL9729253 0.77 MAPT (0.54) MAPTGALR3SMN1; SMN2KAT2BTHRB
SCHEMBL10475489 0.76 MAPT (0.74) MAPTGALR3SMN1; SMN2THRBPDE3B
SCHEMBL10474001 0.76 GALR3 (0.76) 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 6 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
EP-0327800-B1 6-PHENYLDIHYDRO-3(2H)-PYRIDAZINONES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS HEUMANN PHARMA GMBH & CO (DE) 1992-05-27 EP disclosed
US-4968683-A INOTROPIC, CARDIOTONIC HEUMANN PHARMA GMBH & CO. (DE) 1990-11-06 US disclosed
US-4954501-A INOTROPIC AGENTS HEUMANN PHARMA GMBH & CO. (DE) 1990-09-04 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
EP-0327800-A2 6-Phenyldihydro-3(2H)-pyridazinones, process for their preparation and medicines containing these compounds HEUMANN PHARMA GMBH & CO (DE) 1989-08-16 EP disclosed