SCHEMBL9703873

SCHEMBL9703873

CC1CN(c2c(Cl)cc3c(=O)c(C(=O)O)cn4c3c2C=CC4C)CCN1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 6/20 0.53
HPGD P15428 5/20 0.53
HSD17B10 Q99714 5/20 0.53
KCNH2 Q12809 5/20 0.53
POLB P06746 4/20 0.53
OPRM1 P35372 2/20 0.53
PRKD3 O94806 1/20 0.53
ALOX15 P16050 1/20 0.53
CLK2 P49760 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PMP22 Q01453 1/20 0.51
HRH3 Q9Y5N1 2/20 0.43
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
OPRD1 P41143 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL9703371 0.90 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL9703696 0.89 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL9703751 0.89 ALDH1A1 (0.64) KDM4EALDH1A1HPGDHSD17B10KCNH2
Hydrochloric Acid SCHEMBL9703676 0.89 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10KCNH2
Hydrochloric Acid SCHEMBL9705513 0.88 ALDH1A1 (0.65) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL9703966 0.88 HPGD (0.44) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL9705532 0.85 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL9703105 0.85 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9705566 0.84 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL8435331 0.81 ALDH1A1 (0.66) KDM4EALDH1A1HPGDHSD17B10KCNH2

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 4 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 claimed
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 claimed
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
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