SCHEMBL7280421

SCHEMBL7280421

O=c1ccc(-c2ccc(Cn3ccnc3)cc2)n[nH]1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.61
▸ PDE3A Q14432 1/20 0.61
▸ CYP11B1 P15538 16/20 0.55
▸ CYP11B2 P19099 12/20 0.55
▸ CYP17A1 P05093 1/20 0.55
▸ CYP19A1 P11511 5/20 0.51
▸ CYP2A6 P11509 1/20 0.51
▸ CYP2B6 P20813 1/20 0.51

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
SCHEMBL7280275 0.87 PDE3B (0.59) PDE3BPDE3ACYP11B1CYP19A1
SCHEMBL7290394 0.79 TBXAS1 (0.58) PDE3BPDE3A
SCHEMBL10648091 0.79 PDE3B (0.43) PDE3BPDE3ACYP11B1CYP11B2CYP19A1
SCHEMBL2529997 0.77 CYP11B1 (0.86) CYP11B1CYP11B2CYP17A1CYP19A1CYP2A6
SCHEMBL10645457 0.76 CYP11B1 (0.56) PDE3BPDE3ACYP11B1CYP11B2CYP19A1
SCHEMBL7280366 0.76 PDE3B (1.00) PDE3BPDE3A
SCHEMBL1024261 0.75 CYP11B1 (0.84) CYP11B1CYP11B2CYP17A1CYP19A1CYP2A6
Hydrochloric Acid SCHEMBL1775141 0.74 CYP11B1 (0.81) CYP11B1CYP11B2CYP17A1CYP19A1CYP2A6
SCHEMBL3452908 0.73 LMNA (0.80) PDE3BPDE3A
SCHEMBL11100630 0.72 CYP11B1 (0.57) CYP11B1CYP11B2CYP17A1CYP19A1CYP2A6

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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