SCHEMBL9564481

SCHEMBL9564481

CN1CCN(c2c(N)cc3c(=O)ccn(C4CC4)c3c2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 10/20 0.48
TOP2B Q02880 10/20 0.48
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 3/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HPGD P15428 2/20 0.32
ALB P02768 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL10808897 0.77 TOP2A (0.62) TOP2ATOP2B
SCHEMBL9377246 0.75 TOP2A (0.55) TOP2ATOP2BALDH1A1POLBKDM4E
SCHEMBL9377567 0.74 ALDH1A1 (0.53) TOP2ATOP2BALDH1A1POLB
Bicarbonate SCHEMBL11112814 0.73 TOP2A (0.58) TOP2ATOP2B
SCHEMBL8131949 0.73 TOP2A (0.63) TOP2ATOP2B
SCHEMBL9564487 0.72 MEN1 (0.43) TOP2ATOP2BALDH1A1KDM4EHSD17B10
SCHEMBL17453750 0.71 TOP2A (0.56) TOP2ATOP2BALDH1A1POLBKDM4E
SCHEMBL14585956 0.71 ALDH1A1 (0.48) TOP2ATOP2BALDH1A1POLBKDM4E
SCHEMBL9381212 0.71 KCNH2 (0.53) TOP2ATOP2BALDH1A1POLB
SCHEMBL10592231 0.70 TOP2A (0.53) TOP2ATOP2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0531958-A1 6-Aminoquinolones, their synthesis and their use as antibacterial agents MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1993-03-17 EP disclosed