SCHEMBL9704634

SCHEMBL9704634

CC1CC(=O)c2c(ccc(Cl)c2Cl)N1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 8/20 0.44
BRD4 O60885 7/20 0.44
EP300 Q09472 1/20 0.44
CES1 P23141 1/20 0.42
HTR2C P28335 5/20 0.39
HTR1A P08908 3/20 0.39
HTR7 P34969 3/20 0.39
HTR5A P47898 3/20 0.39
HTR1D P28221 2/20 0.39
HTR2A P28223 2/20 0.37
HTR2B P41595 2/20 0.37
HRH1 P35367 1/20 0.36
PGR P06401 1/20 0.34
AR P10275 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL9703779 0.84 BRD4 (0.38) CREBBPBRD4EP300PGRAR
SCHEMBL10914693 0.80 BRD4 (0.50) CREBBPBRD4EP300CES1
SCHEMBL9035052 0.75 NOTUM (0.44) CREBBPBRD4EP300HTR2CHTR1A
SCHEMBL9582635 0.75 NOTUM (0.44) CREBBPBRD4EP300HTR2CHTR1A
SCHEMBL10619645 0.75 CREBBP (0.41) CREBBPBRD4EP300PGRAR
SCHEMBL13960206 0.72 CES1 (0.36) CREBBPCES1HTR2CHTR2AHTR2B
SCHEMBL9704675 0.69 CES1 (0.39) CREBBPBRD4EP300CES1PGR
SCHEMBL10914586 0.67 CES1 (0.42) CREBBPBRD4EP300CES1TSHR
SCHEMBL9819147 0.67 PBRM1 (0.46) CREBBPBRD4ALDH1A1SMN1; SMN2
SCHEMBL6419356 0.66 CREBBP (0.59) CREBBPBRD4EP300TSHR

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