SCHEMBL11276115

SCHEMBL11276115

O=c1ccc2cc(OCCCCS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.58
PDE3A Q14432 4/20 0.58
P2RY12 Q9H244 3/20 0.58
POLB P06746 3/20 0.47
PKM P14618 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 2/20 0.43
OGT O15294 2/20 0.42
TP53 P04637 2/20 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

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
SCHEMBL11266845 0.93 PDE3B (0.62) PDE3BPDE3AP2RY12POLBPKM
SCHEMBL11273281 0.87 POLB (0.50) PDE3BPDE3AP2RY12POLBLMNA
SCHEMBL11275661 0.87 PDE3B (0.49) PDE3BPDE3AP2RY12POLBPKM
SCHEMBL11270566 0.85 PDE3B (0.60) PDE3BPDE3AP2RY12DRD2DRD4
SCHEMBL11270806 0.84 PDE3B (0.47) PDE3BPDE3AP2RY12POLBPKM
SCHEMBL11290690 0.84 PDE3B (0.47) PDE3BPDE3AP2RY12POLBPKM
SCHEMBL11275415 0.83 PDE3B (0.45) PDE3BPDE3AP2RY12POLBPKM
SCHEMBL11274084 0.81 PDE3B (0.52) PDE3BPDE3AP2RY12POLBPKM
SCHEMBL9002571 0.80 PDE3B (0.48) PDE3BPDE3AP2RY12POLBPKM
SCHEMBL11283835 0.80 LMNA (0.44) PDE3BPDE3AP2RY12POLBRXFP1

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