SCHEMBL10648314

SCHEMBL10648314

O=C1CCC(c2ccc(-n3ccnc3)s2)=NN1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 16/20 0.60
▸ PDE3A Q14432 16/20 0.60
▸ PDE4A P27815 2/20 0.60
▸ PDE4B Q07343 2/20 0.60
▸ PDE4C Q08493 2/20 0.60
▸ PDE4D Q08499 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ KCNH2 Q12809 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CRBN Q96SW2 3/20 0.39
▸ TBXAS1 P24557 1/20 0.39
▸ PDE2A O00408 2/20 0.37

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
SCHEMBL10651787 0.78 PDE3B (0.63) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11017553 0.78 PDE3B (0.65) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11017552 0.78 PDE3B (0.65) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10649995 0.77 SMN1; SMN2 (0.39) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10646110 0.77 CYP11B1 (0.53) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10648101 0.76 PDE3B (0.62) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10727551 0.76 PDE3B (0.36) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10646114 0.76 PDE3A (0.63) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10365668 0.75 PDE3B (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10726946 0.75 PDE3B (0.61) 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 4 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
US-4643998-A Imidazolylalkylthienyl tetrahydropyridazines and processes for their use A. NATTERMAN & CIE GMBH (DE) 1987-02-17 — — US 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
EP-0112987-A1 Imidazolylalkylthienyl-tetrahydropyridazines and process for their preparation A. Nattermann & Cie. GmbH (DE) 1984-07-11 — — EP disclosed
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