SCHEMBL9705497

SCHEMBL9705497

CC1CC(=O)c2c(N3CCNCC3)c(Cl)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.45
ALDH1A1 P00352 7/20 0.45
HPGD P15428 7/20 0.45
HSD17B10 Q99714 7/20 0.45
TOP2A P11388 6/20 0.45
TOP2B Q02880 5/20 0.45
LMNA P02545 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 1/20 0.45
ALB P02768 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
AADAT Q8N5Z0 2/20 0.43
POLB P06746 2/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43

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
SCHEMBL9703884 0.89 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL9703124 0.88 LMNA (0.55) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL11166942 0.88 LMNA (0.50) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL9703753 0.88 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL9704661 0.87 DYRK1A (0.39) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL9703580 0.87 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL9703079 0.85 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL9704613 0.85 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL11165938 0.82 LMNA (0.63) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL9703818 0.82 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10TOP2A

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