SCHEMBL9703631

SCHEMBL9703631

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.54
HPGD P15428 8/20 0.54
ALDH1A1 P00352 7/20 0.54
HSD17B10 Q99714 7/20 0.54
PMP22 Q01453 1/20 0.53
KCNH2 Q12809 2/20 0.53
POLB P06746 2/20 0.53
PRKD3 O94806 1/20 0.53
ALOX15 P16050 1/20 0.53
OPRM1 P35372 1/20 0.53
CLK2 P49760 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ADRB2 P07550 1/20 0.41
STAT3 P40763 1/20 0.40
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
ALB P02768 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TUBB4A P04350 1/20 0.38

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 0.91 KDM4E (0.43) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9703286 0.90 HPGD (0.44) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9703788 0.88 KDM4E (0.64) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9703878 0.87 KDM4E (0.43) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL9703747 0.86 KDM4E (0.43) KDM4EHPGDALDH1A1HSD17B10KCNH2
SCHEMBL9703871 0.86 KDM4E (0.53) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL9703249 0.85 KDM4E (0.45) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL6784057 0.84 KCNH2 (0.66) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9705523 0.82 ADRB2 (0.42) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9704598 0.82 STAT3 (0.50) KDM4EHPGDALDH1A1HSD17B10ADRB2

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