SCHEMBL11272074

SCHEMBL11272074

Cc1cc(=O)[nH]c2ccc(OCCCCS(=O)(=O)c3ccccc3)cc12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 12/20 0.54
PDE3A Q14432 12/20 0.54
P2RY12 Q9H244 3/20 0.54
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PPARA Q07869 1/20 0.41
MAOB P27338 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL11271989 0.85 PDE3B (0.42) PDE3BPDE3AP2RY12POLBPKM
SCHEMBL11285306 0.81 PDE3B (0.46) PDE3BPDE3AP2RY12POLBPKM
SCHEMBL11266845 0.81 PDE3B (0.62) PDE3BPDE3AP2RY12POLBPKM
SCHEMBL11270566 0.80 PDE3B (0.60) PDE3BPDE3AP2RY12MAOB
SCHEMBL11277251 0.79 KDM4E (0.46) PDE3BPDE3APOLBPKMCYP1A2
SCHEMBL11272206 0.78 LMNA (0.48) PDE3BPDE3ACYP1A2CYP2C19TNKS2
SCHEMBL11068508 0.78 LMNA (0.54) PDE3BPDE3ACYP1A2CYP2C19TNKS2
SCHEMBL11281640 0.76 POLB (0.42) PDE3BPDE3APOLBPKMCYP1A2
SCHEMBL11273753 0.76 TNKS2 (0.47) PDE3BPDE3APOLBCYP1A2CYP2C19
SCHEMBL11276115 0.76 PDE3B (0.58) PDE3BPDE3AP2RY12POLBPKM

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 3 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 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