SCHEMBL10649218

SCHEMBL10649218

O=c1ccc(-c2ccc(CCCCn3ccnc3)s2)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 2/20 0.42
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ HMOX1 P09601 1/20 0.41
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40

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
SCHEMBL10648512 0.99 TBXAS1 (0.44) TBXAS1PDE3BPDE3AHMOX1CYP11B1
SCHEMBL10651613 0.97 PDE3B (0.43) TBXAS1PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL11115116 0.92 PDE3B (0.44) TBXAS1PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL10645457 0.84 CYP11B1 (0.56) TBXAS1PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL10646129 0.78 HRH3 (0.53) —
SCHEMBL10650982 0.77 HRH3 (0.52) —
SCHEMBL10645518 0.75 PDE3B (0.43) TBXAS1PDE3BPDE3AHMOX1CYP11B1
SCHEMBL10924625 0.74 PDE3B (0.42) TBXAS1PDE3BPDE3AHMOX1
SCHEMBL10922175 0.74 PDE3B (0.42) TBXAS1PDE3BPDE3AHMOX1
SCHEMBL10926117 0.74 PDE3B (0.42) TBXAS1PDE3BPDE3AHMOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0128502-B1 SUBSTITUTED 6-(THIEN-2-YL)-3(2H)-PYRIDAZINONES AND PROCESSES FOR THEIR PREPARATION A. Nattermann & Cie. GmbH (DE) 1988-08-31 — — EP disclosed
EP-0128502-A1 Substituted 6-(thien-2-yl)-3(2H)-pyridazinones and processes for their preparation A. Nattermann & Cie. GmbH (DE) 1984-12-19 — — EP disclosed
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