SCHEMBL7273841

SCHEMBL7273841

O=C1CCC(c2ccc(Cl)c([N+](=O)[O-])c2)=NN1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.49
PDE3A Q14432 9/20 0.49
PDE4A P27815 6/20 0.49
PDE4B Q07343 6/20 0.49
PDE4C Q08493 6/20 0.49
PDE4D Q08499 6/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
GRK6 P43250 1/20 0.47
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 1/20 0.43
DHFR P00374 1/20 0.42

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
SCHEMBL7273670 0.85 PDE3B (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10333086 0.84 MAPT (0.59) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11703472 0.84 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11634895 0.81 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10956470 0.81 PDE3B (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7276255 0.81 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11741776 0.79 PDE3B (0.55) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL21969531 0.78 PDE3B (0.65) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL21970119 0.78 MAPT (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL20703014 0.77 PDE3B (0.54) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4954499-A Pyridazinone derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-09-04 US claimed
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-4954499-A Pyridazinone derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-09-04 US 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
EP-0279283-A2 Pyridazinone derivatives MERCK PATENT GmbH (DE) 1988-08-24 EP disclosed