SCHEMBL11095062

SCHEMBL11095062

CC1CC(S)=NN=C1c1ccc(-n2ccnc2)s1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 5/20 0.38
▸ PDE3A Q14432 5/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38

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
SCHEMBL11099462 0.78 PDE3B (0.39) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10646114 0.77 PDE3A (0.63) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10730489 0.77 PDE3B (0.41) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11099638 0.77 PDE3B (0.59) PDE3BPDE3APDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL11102712 0.76 PDE3B (0.58) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11101902 0.75 CYP3A4 (0.33) PDE3BPDE3APDE4APDE4BPDE4C
Fumaric Acid SCHEMBL10725290 0.71 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
Fumaric Acid SCHEMBL10725276 0.71 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10651787 0.70 PDE3B (0.63) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10363627 0.69 PDE3B (0.42) PDE3BPDE3APDE4APDE4BPDE4C

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-0122419-A2 Substituted 3-mercaptopyridazines, their 3-alkylthio derivatives and processes for their preparation A. Nattermann & Cie. GmbH (DE) 1984-10-24 — — EP disclosed
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