SCHEMBL9703722

SCHEMBL9703722

CCOC(=O)c1cn2c3c(c(N4CCNC(C)(C)C4)c(F)cc3c1=O)C=CC2C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
KDM4E B2RXH2 6/20 0.39
HPGD P15428 6/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 5/20 0.39
STAT3 P40763 1/20 0.39
PMP22 Q01453 1/20 0.39
KCNH2 Q12809 3/20 0.38
POLB P06746 1/20 0.38
PRKD3 O94806 1/20 0.38
ALOX15 P16050 1/20 0.38
OPRM1 P35372 1/20 0.38
CLK2 P49760 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 3/20 0.38
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL9703642 0.88 KDM4E (0.47) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9704612 0.88 KDM4E (0.42) ADRB2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL9703387 0.84 MEN1 (0.51) ADRB2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL9703116 0.83 KDM4E (0.43) ADRB2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL9704606 0.82 KDM4E (0.42) ADRB2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL9703364 0.79 KDM4E (0.53) ADRB2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL9705532 0.78 KDM4E (0.38) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9703898 0.78 DYRK1A (0.41) ADRB2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL9703268 0.77 KDM4E (0.41) ADRB2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL9703966 0.76 HPGD (0.44) ADRB2KDM4EHPGDALDH1A1HSD17B10

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