SCHEMBL11274491

SCHEMBL11274491

O=c1ccc2cc(OCCCCSC3CCCCC3)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.58
PDE3A Q14432 5/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
PDE5A O76074 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.58
PTAFR P25105 1/20 0.58
CYP2C19 P33261 1/20 0.58
BLM P54132 1/20 0.58
PDE1A P54750 1/20 0.58
PDE1B Q01064 1/20 0.58
PMP22 Q01453 1/20 0.58
KMT2A Q03164 1/20 0.58
PDE1C Q14123 1/20 0.58
HSD17B10 Q99714 1/20 0.58
DRD2 P14416 11/20 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
SCHEMBL11266869 0.82 PDE3B (0.53) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL10969127 0.78 PDE3B (0.56) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL11268673 0.76 KDM4E (0.46) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL8860585 0.76 PDE3B (0.52) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL11266873 0.75 KDM4E (0.53) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL11280468 0.75 PDE3B (0.63) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL7802190 0.75 PDE3B (0.51) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL7802010 0.75 PDE3B (0.51) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL11324828 0.75 PDE3B (0.81) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL11324806 0.75 PDE3B (0.66) PDE3BPDE3AKDM4EMEN1PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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