SCHEMBL7280416

SCHEMBL7280416

O=c1ccc(-c2ccc(-n3cncn3)cc2)n[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.58
▸ PDE3A Q14432 3/20 0.58
▸ LMNA P02545 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CYP1A2 P05177 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAPT P10636 1/20 0.43
▸ ROCK1 Q13464 1/20 0.42
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ HRH3 Q9Y5N1 4/20 0.40
▸ FBP1 P09467 1/20 0.40
▸ MAPK10 P53779 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 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
SCHEMBL3452908 0.77 LMNA (0.80) PDE3BPDE3ALMNAMEN1KMT2A
SCHEMBL7277959 0.75 PDE3B (0.68) PDE3BPDE3ALMNAMEN1KMT2A
SCHEMBL28108762 0.75 KDM4E (0.64) CYP1A2KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL31553322 0.74 PIM1 (0.40) PDE3BPDE3AMEN1KMT2ACYP1A2
SCHEMBL31553324 0.74 PIM1 (0.40) PDE3BPDE3AMEN1KMT2ACYP1A2
SCHEMBL10651151 0.74 PDE3B (0.37) PDE3BPDE3ALMNAMEN1KMT2A
SCHEMBL7280366 0.73 PDE3B (1.00) PDE3BPDE3ALMNAMEN1KMT2A
SCHEMBL27905069 0.73 SMN1; SMN2 (0.72) CYP1A2KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL7279874 0.72 PDE3A (0.68) PDE3BPDE3ALMNAMEN1KMT2A
SCHEMBL7319085 0.71 PDE3B (0.67) PDE3BPDE3ALMNAMEN1KMT2A

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
US-4734415-A CARDIOTONIC, HYPOTENSIVE WARNER-LAMBERT COMPANY (US) 1988-03-29 — — US claimed
EP-0075436-A1 Substituted 4,5-dihydro-6-(substituted)-phenyl-3(2H)-pyridazinones and 6-(substituted)phenyl-3(2H)-pyridazinones WARNER-LAMBERT COMPANY (US) 1983-03-30 — — EP claimed
US-4734415-A CARDIOTONIC, HYPOTENSIVE WARNER-LAMBERT COMPANY (US) 1988-03-29 — — US disclosed
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