SCHEMBL9705532

SCHEMBL9705532

CC1C=Cc2c(N3CCNC(C)(C)C3)c(Cl)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.38
ALDH1A1 P00352 7/20 0.38
HPGD P15428 6/20 0.38
HSD17B10 Q99714 6/20 0.38
POLB P06746 3/20 0.38
KCNH2 Q12809 3/20 0.38
OPRM1 P35372 2/20 0.38
PRKD3 O94806 1/20 0.38
ALOX15 P16050 1/20 0.38
CLK2 P49760 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PMP22 Q01453 1/20 0.36
LMNA P02545 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
OPRD1 P41143 1/20 0.35
ALB P02768 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
AADAT Q8N5Z0 2/20 0.35

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 0.90 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9703371 0.87 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10POLB
Hydrochloric Acid SCHEMBL9703676 0.86 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9703873 0.85 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9703105 0.82 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9703722 0.78 ADRB2 (0.39) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9705566 0.78 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9703761 0.76 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9704563 0.76 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9703898 0.75 DYRK1A (0.41) KDM4EALDH1A1HPGDHSD17B10POLB

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