SCHEMBL11266869

SCHEMBL11266869

O=c1ccc2cc(OCCCCSc3ccc(C4CCCCC4)cc3)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.53
PDE3A Q14432 3/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
PDE5A O76074 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
PTAFR P25105 1/20 0.53
CYP2C19 P33261 1/20 0.53
BLM P54132 1/20 0.53
PDE1A P54750 1/20 0.53
PDE1B Q01064 1/20 0.53
PMP22 Q01453 1/20 0.53
PDE1C Q14123 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HRH3 Q9Y5N1 2/20 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
SCHEMBL11274084 0.82 PDE3B (0.52) PDE3BPDE3AKMT2AKDM4EMEN1
SCHEMBL11274491 0.82 PDE3B (0.58) PDE3BPDE3AKMT2AKDM4EMEN1
SCHEMBL11266873 0.82 KDM4E (0.53) PDE3BPDE3AKMT2AKDM4EMEN1
SCHEMBL11270533 0.82 KDM4E (0.44) PDE3BPDE3AKMT2AKDM4EMEN1
SCHEMBL11282334 0.82 PDE3B (0.44) PDE3BPDE3AKMT2AKDM4EMEN1
SCHEMBL11276023 0.82 F11 (0.50) PDE3BPDE3AKMT2AKDM4EMEN1
SCHEMBL11268673 0.81 KDM4E (0.46) PDE3BPDE3AKMT2AKDM4EMEN1
SCHEMBL10968005 0.81 PDE3B (0.51) PDE3BPDE3AKMT2AKDM4EMEN1
SCHEMBL11284124 0.80 PDE3A (0.43) PDE3BPDE3AKMT2AKDM4EMEN1
SCHEMBL10925920 0.79 MCL1 (0.46) PDE3BPDE3AKMT2AKDM4EMEN1

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