SCHEMBL7339595

SCHEMBL7339595

N#Cc1cc2c(ccc3ccccc32)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
PDE9A O76083 2/20 0.50
MCL1 Q07820 1/20 0.49
LMNA P02545 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CLK1 P49759 1/20 0.47
DYRK1A Q13627 1/20 0.47
PARP1 P09874 2/20 0.44
GALR3 O60755 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
FASN P49327 3/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 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
SCHEMBL7339417 0.80 PARP1 (0.47) KDM4EALDH1A1PDE9ALMNAPARP1
SCHEMBL7340847 0.80 DYRK1A (0.49) KDM4ELMNACLK1DYRK1APARP1
SCHEMBL29890500 0.78 BRD4 (0.55) KDM4EALDH1A1PDE9AMCL1LMNA
SCHEMBL1903750 0.78 BRD4 (0.55) KDM4EALDH1A1PDE9AMCL1LMNA
SCHEMBL7338498 0.77 PARP1 (0.47) KDM4EPDE9ALMNAPARP1HPGD
SCHEMBL7339379 0.76 PARP1 (0.57) KDM4EALDH1A1LMNAHSD17B10PARP1
SCHEMBL7341095 0.76 DAO (0.61) KDM4EALDH1A1LMNAHSD17B10PARP1
SCHEMBL9535550 0.74 ALDH1A1 (0.53) KDM4EALDH1A1PDE9AMCL1HSD17B10
SCHEMBL10964698 0.74 DPYD (0.38) KDM4EALDH1A1PDE9AMCL1LMNA
SCHEMBL3335454 0.73 DAO (0.59) KDM4EALDH1A1PDE9ALMNAHSD17B10

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
US-4511569-A Tricyclic lactams and derivatives useful in increasing cardiac contractility SCHERING CORPORATION (US) 1985-04-16 US claimed
US-4511569-A Tricyclic lactams and derivatives useful in increasing cardiac contractility SCHERING CORPORATION (US) 1985-04-16 US disclosed
EP-0102046-A1 Tricyclic lactams, method for making them, pharmaceutical compositions containing them SCHERING CORPORATION (US) 1984-03-07 EP disclosed