SCHEMBL9730914

SCHEMBL9730914

CN1C(=O)CSc2ccc(C3=NNC(=O)CC3)cc21

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 14/20 0.84
▸ PDE3A Q14432 14/20 0.84
▸ PDE4A P27815 4/20 0.54
▸ PDE4B Q07343 4/20 0.54
▸ PDE4C Q08493 4/20 0.54
▸ PDE4D Q08499 4/20 0.54
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL11317512 0.80 PDE3B (0.68) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10597216 0.80 PDE3B (0.68) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7341535 0.77 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9732854 0.75 PDE3B (0.82) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7414950 0.74 PDE3B (0.61) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11314741 0.73 PDE4A (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL16932283 0.72 LMNA (0.61) PDE3BPDE3ALMNASMN1; SMN2POLB
SCHEMBL30538033 0.72 LMNA (0.61) PDE3BPDE3ALMNASMN1; SMN2POLB
SCHEMBL10353452 0.71 SMN1; SMN2 (0.81) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL433871 0.70 LMNA (0.63) LMNASMN1; SMN2POLBALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4766118-A CARDIOTONIC AGENTS, PHOSPHODIESTERASE INHIBITORS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-08-23 — — US claimed
EP-0272914-A2 6-Benzoxazinyl- and 6-benzothiazinyl-2,3,4,5-tetrahydropyridazin-3-ones ORTHO PHARMACEUTICAL CORPORATION (US) 1988-06-29 — — EP claimed
US-5081242-A Cardiotonic and bronchodilator agents; phosphodiesterase inhibitors ORTHO PHARMACEUTICAL CORPORATION (US) 1992-01-14 — — US disclosed
US-4766118-A CARDIOTONIC AGENTS, PHOSPHODIESTERASE INHIBITORS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-08-23 — — US disclosed
EP-0272914-A2 6-Benzoxazinyl- and 6-benzothiazinyl-2,3,4,5-tetrahydropyridazin-3-ones ORTHO PHARMACEUTICAL CORPORATION (US) 1988-06-29 — — EP disclosed
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