SCHEMBL9704750

SCHEMBL9704750

CCC1CC(=O)c2c(N3CCN(C(C)C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.47
ALDH1A1 P00352 6/20 0.47
HPGD P15428 6/20 0.47
HSD17B10 Q99714 6/20 0.47
ALB P02768 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
KCNH2 Q12809 5/20 0.46
AADAT Q8N5Z0 2/20 0.46
TUBB4A P04350 1/20 0.46
POLB P06746 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46

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
SCHEMBL9703762 0.90 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10ALB
Hydrochloric Acid SCHEMBL9703915 0.88 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10ALB
Hydrochloric Acid SCHEMBL9703653 0.86 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9703859 0.82 ALDH1A1 (0.65) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9703778 0.80 KCNH2 (0.48) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9704658 0.80 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL9703919 0.80 MEN1 (0.48) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9705503 0.79 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL10401137 0.78 KCNH2 (0.60) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9703328 0.78 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10ALB

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