SCHEMBL9704586

SCHEMBL9704586

CC1CC(=O)c2cc(F)c(Cl)cc2N1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 7/20 0.43
BRD4 O60885 7/20 0.43
ADORA3 P0DMS8 1/20 0.35
CYP2C9 P11712 1/20 0.35
KCNH2 Q12809 1/20 0.35
AR P10275 2/20 0.35
PGR P06401 1/20 0.35
EP300 Q09472 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
IDO1 P14902 1/20 0.32

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
SCHEMBL9704675 0.87 CES1 (0.39) CREBBPBRD4ARPGREP300
SCHEMBL6589819 0.79 AR (0.48) ARPGR
SCHEMBL11724231 0.76 ACHE (0.47) CREBBPBRD4ARPGREP300
SCHEMBL10914586 0.74 CES1 (0.42) CREBBPBRD4CYP2C9EP300IDO1
SCHEMBL3025028 0.71 ALPL (0.33) PGRLMNAHSD17B10IDO1
SCHEMBL11715697 0.71 KDM4E (0.50) CREBBPBRD4
SCHEMBL22868112 0.70 ACHE (0.46) CREBBPBRD4EP300LMNA
SCHEMBL20288981 0.69 PBRM1 (0.51) CREBBPBRD4AREP300LMNA
SCHEMBL9803709 0.69 MEN1 (0.51) HTR2AHTR2CHTR2BUSP2LMNA
SCHEMBL12156816 0.69 AR (0.44) CREBBPBRD4ARPGREP300

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