SCHEMBL11285306

SCHEMBL11285306

Cc1cc(=O)[nH]c2ccc(OCCCCS(=O)(=O)c3ccc4ccccc4n3)cc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.46
PDE3A Q14432 7/20 0.46
P2RY12 Q9H244 3/20 0.46
GPBAR1 Q8TDU6 3/20 0.39
CYSLTR1 Q9Y271 3/20 0.39
CYSLTR2 Q9NS75 2/20 0.39
MCL1 Q07820 2/20 0.38
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
DRD2 P14416 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR6 P50406 1/20 0.36

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 0.86 PDE3B (0.51) PDE3BPDE3AP2RY12GPBAR1CYSLTR1
SCHEMBL11271989 0.84 PDE3B (0.42) PDE3BPDE3AP2RY12POLBPKM
SCHEMBL11272074 0.81 PDE3B (0.54) PDE3BPDE3AP2RY12POLBPKM
SCHEMBL11273567 0.80 KMT2A (0.45) GPBAR1CYSLTR1CYSLTR2POLBMEN1
SCHEMBL11273270 0.78 CYSLTR1 (0.39) PDE3BPDE3AGPBAR1CYSLTR1CYSLTR2
Quinoline SCHEMBL11273570 0.77 MCL1 (0.46) PDE3BPDE3AGPBAR1CYSLTR1CYSLTR2
SCHEMBL10835192 0.76 MAOB (0.44) PDE3BPDE3AP2RY12GPBAR1CYSLTR1
SCHEMBL11277093 0.74 MAOA (0.55) PDE3BPDE3AP2RY12DRD2CYP1A2
SCHEMBL11272206 0.72 LMNA (0.48) PDE3BPDE3ACYP1A2CYP2C19TNKS2
SCHEMBL9002571 0.72 PDE3B (0.48) 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