SCHEMBL11284124

SCHEMBL11284124

O=c1ccc2cc(OCCCCSc3ccc(-c4ccccc4)cc3)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
PDE5A O76074 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
PTAFR P25105 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PMP22 Q01453 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE1C Q14123 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDGFRB P09619 2/20 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
SCHEMBL11268673 0.93 KDM4E (0.46) PDE3AKDM4EMEN1PDE5AALDH1A1
SCHEMBL10927867 0.87 PDE10A (0.43) PDE3AKDM4EMEN1PDE5AALDH1A1
SCHEMBL11276023 0.86 F11 (0.50) PDE3AKDM4EMEN1PDE5AALDH1A1
SCHEMBL11282334 0.86 PDE3B (0.44) PDE3AKDM4EMEN1PDE5AALDH1A1
SCHEMBL11270533 0.86 KDM4E (0.44) PDE3AKDM4EMEN1PDE5AALDH1A1
SCHEMBL11271536 0.84 DRD2 (0.52) MAPTHTTLMNADRD2DRD4
SCHEMBL10925920 0.83 MCL1 (0.46) PDE3AKDM4EMEN1PDE5AALDH1A1
SCHEMBL11273753 0.82 TNKS2 (0.47) PDE3AKDM4EALDH1A1CYP1A2HPGD
SCHEMBL11274615 0.82 ALDH1A1 (0.42) PDE3AKDM4EMEN1PDE5AALDH1A1
SCHEMBL10927340 0.82 ALDH1A1 (0.43) PDE3AKDM4EMEN1PDE5AALDH1A1

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