SCHEMBL8898020

SCHEMBL8898020

Cc1cc(=O)[nH]nc1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.64
PDE3B Q13370 2/20 0.55
PDE3A Q14432 2/20 0.55
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 5/20 0.54
HSD17B10 Q99714 3/20 0.54
TP53 P04637 2/20 0.54
MET P08581 1/20 0.51
PDGFRB P09619 1/20 0.51
CDK8 P49336 1/20 0.51
ROCK1 Q13464 1/20 0.51
NTRK3 Q16288 1/20 0.51
NTRK2 Q16620 1/20 0.51
AURKB Q96GD4 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PTGS1 P23219 2/20 0.49
PDE5A O76074 1/20 0.49
PDE1A P54750 1/20 0.49

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
SCHEMBL11396639 0.96 HPGD (0.60) HPGDPDE3BPDE3AKDM4EALDH1A1
SCHEMBL10353678 0.90 PDE3B (0.63) HPGDPDE3BPDE3AKDM4EALDH1A1
SCHEMBL11396641 0.86 HPGD (0.57) HPGDPDE3BPDE3AKDM4EALDH1A1
SCHEMBL2474844 0.82 HPGD (0.70) HPGDPDE3BPDE3AKDM4EALDH1A1
SCHEMBL11632009 0.82 PDE3B (0.56) HPGDPDE3BPDE3AALDH1A1MET
SCHEMBL2844945 0.82 PDE3B (0.56) HPGDPDE3BPDE3AKDM4EALDH1A1
SCHEMBL934680 0.82 PDE3B (0.56) HPGDPDE3BPDE3AKDM4EALDH1A1
SCHEMBL8481283 0.82 PDGFRB (0.59) HPGDPDE3BPDE3ATP53MET
SCHEMBL11474002 0.82 PDE3B (0.56) HPGDPDE3BPDE3AALDH1A1MET
SCHEMBL11634857 0.82 DCUN1D1 (0.48) HPGDPDE3BPDE3AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656631-A LIGANDS OF CHOLINERGIC RECEPTORS; TREATMENT OF MEMORY AND NERVOUS SYSTEM DISORDERS SANOFI (FR) 1997-08-12 US disclosed
US-5461053-A Cognition activator SANOFI (FR) 1995-10-24 US disclosed
US-5081119-A Muscarinic antagonists, dememtia, Alzheimer,s SANOFI (FR) 1992-01-14 US disclosed
US-4404203-A AND 6-PHENYL-4,5-DIHYDRO-3/2H/-PYRIDAZINONES WARNER-LAMBERT COMPANY (US) 1983-09-13 US disclosed
US-4397854-A INCREASE IN MYOCARDIAL CONTRACTILITY WARNER-LAMBERT COMPANY (US) 1983-08-09 US disclosed
US-4092311-A Hypotensive alkyl-3-[6-(aryl)-3-pyridazinyl]-carbazates AMERICAN CYANAMID COMPANY (US) 1978-05-30 US disclosed