SCHEMBL9703608

SCHEMBL9703608

CCOC(=O)c1cn2c3c(c(N4CCNCC4)c(F)cc3c1=O)C(=O)CC2CC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 7/20 0.42
HPGD P15428 7/20 0.42
HSD17B10 Q99714 7/20 0.42
ADRB2 P07550 1/20 0.41
STAT3 P40763 1/20 0.41
LMNA P02545 3/20 0.41
CYP2C9 P11712 2/20 0.41
TOP2A P11388 2/20 0.41
TOP2B Q02880 2/20 0.41
CYP1A2 P05177 1/20 0.41
BRD4 O60885 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
CYP2J2 P51589 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PMP22 Q01453 1/20 0.39
POLB P06746 1/20 0.39
PRKD3 O94806 1/20 0.39
ALOX15 P16050 1/20 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
SCHEMBL9704650 0.90 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10ADRB2
SCHEMBL9703919 0.90 MEN1 (0.48) KDM4EALDH1A1HPGDHSD17B10ADRB2
Hydrochloric Acid SCHEMBL9703653 0.89 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9703891 0.84 DYRK1A (0.33) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9703378 0.83 ADRB2 (0.45) KDM4EALDH1A1HPGDHSD17B10ADRB2
SCHEMBL9703631 0.81 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10ADRB2
SCHEMBL6776958 0.81 ADRB2 (0.59) KDM4EALDH1A1HPGDHSD17B10ADRB2
SCHEMBL9703871 0.81 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10ADRB2
SCHEMBL9704661 0.80 DYRK1A (0.39) KDM4EALDH1A1HPGDHSD17B10ADRB2
SCHEMBL9703249 0.80 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10ADRB2

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