SCHEMBL7279874

SCHEMBL7279874

O=c1ccc(-c2ccc(-n3cccc3)cc2)n[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 5/20 0.68
▸ PDE3B Q13370 4/20 0.68
▸ CYP1A2 P05177 1/20 0.61
▸ LMNA P02545 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ MAPT P10636 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4C Q08493 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ HRH3 Q9Y5N1 7/20 0.43
▸ PDE5A O76074 1/20 0.42
▸ PDE2A O00408 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ GPR119 Q8TDV5 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
SCHEMBL7319085 0.89 PDE3B (0.67) PDE3APDE3BCYP1A2LMNAMEN1
SCHEMBL7277959 0.83 PDE3B (0.68) PDE3APDE3BCYP1A2LMNAMEN1
SCHEMBL3452908 0.82 LMNA (0.80) PDE3APDE3BCYP1A2LMNAMEN1
SCHEMBL7280366 0.81 PDE3B (1.00) PDE3APDE3BCYP1A2LMNAMEN1
SCHEMBL482059 0.76 CYP1A2 (1.00) PDE3APDE3BCYP1A2LMNAMEN1
SCHEMBL9687063 0.74 LMNA (0.69) PDE3APDE3BCYP1A2LMNAMEN1
SCHEMBL7689907 0.74 CYP1A2 (0.96) PDE3APDE3BCYP1A2LMNAMEN1
SCHEMBL8695526 0.74 HRH3 (0.55) PDE3APDE3BCYP1A2LMNAMEN1
SCHEMBL7280452 0.74 PDE3B (0.56) PDE3APDE3BCYP1A2LMNAMEN1
SCHEMBL7290613 0.73 CYP1A2 (0.59) PDE3APDE3BCYP1A2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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