SCHEMBL9703318

SCHEMBL9703318

CCCOC(=O)c1cn2c3c(c(N4CCNCC4)c(Cl)cc3c1=O)C=CC2CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 1/20 0.35
DYRK1A Q13627 1/20 0.34
ALDH1A1 P00352 6/20 0.32
KDM4E B2RXH2 5/20 0.32
HPGD P15428 5/20 0.32
HSD17B10 Q99714 5/20 0.32
POLB P06746 2/20 0.32
OPRM1 P35372 2/20 0.32
PRKD3 O94806 1/20 0.32
ALOX15 P16050 1/20 0.32
CLK2 P49760 1/20 0.32
KCNH2 Q12809 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PMP22 Q01453 1/20 0.32
ADORA1 P30542 2/20 0.32
ADORA2A P29274 1/20 0.32
KMT2A Q03164 1/20 0.31
LMNA P02545 3/20 0.31
TOP2A P11388 2/20 0.31

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
SCHEMBL9704563 0.88 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL9703898 0.84 DYRK1A (0.41) DYRK1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9703891 0.82 DYRK1A (0.33) PLATDYRK1AALDH1A1KDM4EHPGD
SCHEMBL9703966 0.77 HPGD (0.44) DYRK1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9703371 0.76 KDM4E (0.43) ALDH1A1KDM4EHPGDHSD17B10POLB
Hydrochloric Acid SCHEMBL9703676 0.75 KDM4E (0.42) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL9703364 0.74 KDM4E (0.53) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL9704640 0.74 KMT2A (0.45) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL9704612 0.73 KDM4E (0.42) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL9703732 0.73 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10POLB

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-0203795-B1 Benzo [i,j] quinolizine-2-carboxylic acid derivatives, the salts and their hydrates, pharmaceutical compositions thereof, and process for preparing the same TOKYO TANABE COMPANY LIMITED (JP) 1992-07-29 EP disclosed
US-4720495-A Benzo[ij]quinolizine-2-carboxylic acids useful for treating bacterial infection TOKYO TANABE CO. LIMITED (JP) 1988-01-19 US disclosed
EP-0203795-A2 Benzo [i,j] quinolizine-2-carboxylic acid derivatives, the salts and their hydrates, pharmaceutical compositions thereof, and process for preparing the same TOKYO TANABE COMPANY LIMITED (JP) 1986-12-03 EP disclosed