SCHEMBL9002571

SCHEMBL9002571

O=c1ccc2cc(OCCCCS(=O)(=O)c3ccccn3)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.48
PDE3A Q14432 4/20 0.48
P2RY12 Q9H244 3/20 0.48
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
PDE5A O76074 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
PTAFR P25105 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PMP22 Q01453 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL11293586 0.85 PDE3B (0.51) PDE3BPDE3AP2RY12KDM4EMEN1
SCHEMBL11266845 0.84 PDE3B (0.62) PDE3BPDE3AP2RY12KDM4EMEN1
SCHEMBL11271989 0.83 PDE3B (0.42) PDE3BPDE3AP2RY12KEAP1NFE2L2
SCHEMBL11276115 0.80 PDE3B (0.58) PDE3BPDE3AP2RY12KDM4EMEN1
SCHEMBL8860948 0.79 PDE3B (0.50) PDE3BPDE3AP2RY12KDM4EMEN1
SCHEMBL11275661 0.78 PDE3B (0.49) PDE3BPDE3AP2RY12KDM4EMEN1
SCHEMBL11273281 0.78 POLB (0.50) PDE3BPDE3AP2RY12KDM4EMEN1
SCHEMBL9258450 0.77 PDE3B (0.46) PDE3BPDE3AP2RY12KEAP1NFE2L2
SCHEMBL11275415 0.76 PDE3B (0.45) PDE3BPDE3AP2RY12KDM4EMEN1
SCHEMBL11270566 0.76 PDE3B (0.60) PDE3BPDE3AP2RY12DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003771-B1 CARBOSTYRILE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1982-10-20 EP claimed
US-4329347-A Cardiotonic and antithrombotic sulfur-containing derivatives of carbostyril BOEHRINGER INGELHEIM GMBH (DE) 1982-05-11 US claimed
EP-0487095-B1 Pyridyl derivatives, medicines containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1996-02-28 EP disclosed
US-5482948-A Pyridyl derivatives and pharmaceutical compositions comprising these compounds DR. KARL THOMAE GMBH (DE) 1996-01-09 US disclosed
EP-0397044-B1 Arylsulfonamides, medicines containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1995-12-27 EP disclosed
EP-0547517-B1 Pyridyl derivatives, medicines containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-05-17 EP disclosed
US-5286736-A Thromboxane antagonists and thromboxane synthetase inhibitors DR. KARL THOMAE GMBH (DE) 1994-02-15 US disclosed
EP-0547517-A1 Pyridyl derivatives, medicines containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1993-06-23 EP disclosed
EP-0487095-A1 Pyridyl derivatives, medicines containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-05-27 EP disclosed
EP-0397044-A2 Arylsulfonamides, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-11-14 EP disclosed
EP-0003771-B1 CARBOSTYRILE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1982-10-20 EP disclosed
US-4329347-A Cardiotonic and antithrombotic sulfur-containing derivatives of carbostyril BOEHRINGER INGELHEIM GMBH (DE) 1982-05-11 US disclosed
EP-0003771-A1 Carbostyrile derivatives, their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1979-09-05 EP disclosed