SCHEMBL7266906

SCHEMBL7266906

CC(=O)NCCNc1ccc(C2=NNC(=O)CC2C)cc1[N+](=O)[O-]

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 3/20 0.79
MAPT P10636 3/20 0.79
SMN1; SMN2 Q16637 2/20 0.79
THRB P10828 1/20 0.59
ALDH1A1 P00352 3/20 0.57
GAA P10253 1/20 0.57
PDE3B Q13370 15/20 0.57
PDE3A Q14432 15/20 0.57
SLFN12 Q8IYM2 1/20 0.57
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
KDM4E B2RXH2 1/20 0.46
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
RECQL P46063 1/20 0.41

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
SCHEMBL10474001 0.89 GALR3 (0.76) GALR3MAPTSMN1; SMN2THRBALDH1A1
SCHEMBL7266967 0.88 GALR3 (0.73) GALR3MAPTSMN1; SMN2THRBALDH1A1
SCHEMBL16157214 0.88 MAPT (1.00) GALR3MAPTSMN1; SMN2THRBALDH1A1
SCHEMBL7321514 0.87 GALR3 (0.77) GALR3MAPTSMN1; SMN2THRBALDH1A1
Iodide SCHEMBL10474072 0.87 GALR3 (0.74) GALR3MAPTSMN1; SMN2THRBALDH1A1
SCHEMBL7273931 0.87 GALR3 (0.79) GALR3MAPTSMN1; SMN2THRBALDH1A1
SCHEMBL7267555 0.86 GALR3 (0.81) GALR3MAPTSMN1; SMN2THRBALDH1A1
SCHEMBL7315454 0.86 MAPT (0.71) GALR3MAPTSMN1; SMN2THRBALDH1A1
SCHEMBL16156975 0.86 MAPT (0.71) GALR3MAPTSMN1; SMN2THRBALDH1A1
SCHEMBL16156961 0.85 MAPT (0.79) GALR3MAPTSMN1; SMN2THRBALDH1A1

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-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-4954501-A INOTROPIC AGENTS HEUMANN PHARMA GMBH & CO. (DE) 1990-09-04 US 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