SCHEMBL11115116

SCHEMBL11115116

O=c1ccc(-c2ccc(CCn3ccnc3)s2)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ CYP11B1 P15538 3/20 0.42
▸ CYP11B2 P19099 3/20 0.42
▸ TBXAS1 P24557 5/20 0.37
▸ CYP19A1 P11511 2/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL10651613 0.93 PDE3B (0.43) PDE3BPDE3ACYP11B1CYP11B2TBXAS1
SCHEMBL10649218 0.92 TBXAS1 (0.42) PDE3BPDE3ACYP11B1CYP11B2TBXAS1
SCHEMBL10648512 0.91 TBXAS1 (0.44) PDE3BPDE3ACYP11B1CYP11B2TBXAS1
SCHEMBL10645457 0.88 CYP11B1 (0.56) PDE3BPDE3ACYP11B1CYP11B2TBXAS1
SCHEMBL7280275 0.78 PDE3B (0.59) PDE3BPDE3ACYP11B1TBXAS1CYP19A1
SCHEMBL10650493 0.76 HRH3 (0.50) KMT2A
SCHEMBL10648317 0.75 CYP1A2 (0.39) PDE3BPDE3ACYP11B1CYP11B2KMT2A
SCHEMBL10650151 0.74 CYP1A2 (0.41) PDE3BPDE3ACYP11B1CYP11B2KMT2A
SCHEMBL10646442 0.73 PDE3B (0.46) PDE3BPDE3ACYP11B1CYP11B2TBXAS1
SCHEMBL10648271 0.73 PDE3A (0.59) PDE3BPDE3ATBXAS1KMT2A

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-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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