SCHEMBL9703892

SCHEMBL9703892

COC(=O)c1cn2c3c(c(Cl)c(F)cc3c1=O)C(=O)CC2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 5/20 0.40
TOP2B Q02880 5/20 0.40
KDM4E B2RXH2 8/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
LMNA P02545 2/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 3/20 0.38
POLB P06746 3/20 0.38
OPRM1 P35372 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
OPRD1 P41143 1/20 0.38
ALB P02768 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
AADAT Q8N5Z0 2/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 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
SCHEMBL9703781 0.89 ADRB2 (0.46) TOP2ATOP2BKDM4ESMN1; SMN2CYP1A2
SCHEMBL9703785 0.88 KDM4E (0.52) TOP2ATOP2BKDM4ESMN1; SMN2CYP1A2
SCHEMBL9703759 0.87 KDM4E (0.35) TOP2ATOP2BKDM4ESMN1; SMN2CYP1A2
SCHEMBL10401667 0.82 KDM4E (0.55) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9703924 0.79 KDM4E (0.45) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9704598 0.78 STAT3 (0.50) TOP2ATOP2BKDM4ESMN1; SMN2CYP1A2
SCHEMBL9704619 0.78 BAZ2B (0.40) KDM4ELMNAKMT2AALDH1A1HPGD
SCHEMBL9703378 0.78 ADRB2 (0.45) TOP2ATOP2BKDM4ELMNAKMT2A
SCHEMBL9703818 0.77 KDM4E (0.48) TOP2ATOP2BKDM4ESMN1; SMN2CYP1A2
SCHEMBL5704356 0.75 GSK3B (0.53) TOP2ATOP2BKDM4ELMNAKMT2A

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