SCHEMBL11099462

SCHEMBL11099462

CC1CC(S)=NN=C1c1cc(-n2ccnc2)cs1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 7/20 0.39
▸ PDE3A Q14432 7/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ CYP3A4 P08684 1/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ CYP11B1 P15538 3/20 0.30
▸ CYP11B2 P19099 3/20 0.30
▸ IDO1 P14902 1/20 0.30
▸ CYP19A1 P11511 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ENPP2 Q13822 1/20 0.30
▸ MKNK1 Q9BUB5 1/20 0.30
▸ MKNK2 Q9HBH9 1/20 0.30
▸ NOTUM Q6P988 1/20 0.30

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
SCHEMBL11095062 0.78 PDE3B (0.38) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11099638 0.78 PDE3B (0.59) PDE3BPDE3APDE4APDE4BPDE4C
Motapizone SCHEMBL385669 0.77 PDE3B (0.65) PDE3BPDE3APDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL11102712 0.77 PDE3B (0.58) PDE3BPDE3APDE4APDE4BPDE4C
Motapizone SCHEMBL10671058 0.76 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10646735 0.70 PDE3B (0.65) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10364636 0.69 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10365546 0.69 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL10367316 0.68 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL10366285 0.68 PDE3B (0.43) 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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