SCHEMBL9703753

SCHEMBL9703753

CCC1CC(=O)c2c(N3CCNCC3)c(Cl)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 8/20 0.43
HPGD P15428 7/20 0.43
HSD17B10 Q99714 7/20 0.43
TOP2A P11388 5/20 0.43
LMNA P02545 4/20 0.43
TOP2B Q02880 4/20 0.43
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 1/20 0.43
BRD4 O60885 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
CYP2J2 P51589 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATP6V1B2 P21281 1/20 0.40
TBXA2R P21731 1/20 0.40
EDNRA P25101 1/20 0.40
TARBP2 Q15633 1/20 0.40
PMP22 Q01453 1/20 0.40
POLB P06746 3/20 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
SCHEMBL9703891 0.89 DYRK1A (0.33) ALDH1A1KDM4EHPGDHSD17B10TOP2A
SCHEMBL9703887 0.89 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10TOP2A
Hydrochloric Acid SCHEMBL9703653 0.88 KDM4E (0.51) ALDH1A1KDM4EHPGDHSD17B10TOP2A
SCHEMBL9705497 0.88 KDM4E (0.45) ALDH1A1KDM4EHPGDHSD17B10TOP2A
SCHEMBL9703281 0.83 KDM4E (0.39) ALDH1A1KDM4EHPGDHSD17B10TOP2A
SCHEMBL9703618 0.82 KDM4E (0.36) ALDH1A1KDM4EHPGDHSD17B10TOP2A
SCHEMBL9704563 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10TOP2A
SCHEMBL9704661 0.79 DYRK1A (0.39) ALDH1A1KDM4EHPGDHSD17B10TOP2A
SCHEMBL9703608 0.79 KDM4E (0.42) ALDH1A1KDM4EHPGDHSD17B10TOP2A
SCHEMBL9703859 0.79 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDHSD17B10TOP2A

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 2 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
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