SCHEMBL9564474

SCHEMBL9564474

CN1CCN(c2c(N)c(N)c3c(=O)cc(C(=O)O)n(C4CC4)c3c2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.39
MAPK1 P28482 3/20 0.35
POLB P06746 2/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1D Q01668 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
TOP2A P11388 2/20 0.35
TOP2B Q02880 1/20 0.35
ALDH1A1 P00352 6/20 0.34
HSD17B10 Q99714 5/20 0.34
HPGD P15428 3/20 0.34
ALB P02768 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ADRA2B P18089 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34

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
SCHEMBL9564459 0.86 MEN1 (0.40) KDM4EMAPK1ALDH1A1HSD17B10CYP1A2
SCHEMBL8741056 0.81 TOP2A (0.40) MAPK1POLBCACNA1FCACNA1DKCNH2
SCHEMBL9564461 0.77 AURKA (0.37) MAPK1TOP2ATOP2BALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL9564479 0.76 SCN5A (0.34) KDM4EMAPK1POLBKCNH2ALDH1A1
SCHEMBL10700307 0.75 TOP2A (0.38) MAPK1POLBCACNA1FCACNA1DKCNH2
SCHEMBL27741279 0.75 TOP2A (0.37) MAPK1POLBCACNA1FCACNA1DKCNH2
SCHEMBL9688753 0.73 TOP2A (0.34) MAPK1POLBCACNA1FCACNA1DKCNH2
SCHEMBL10817331 0.72 TOP2A (0.47) MAPK1POLBCACNA1FCACNA1DKCNH2
SCHEMBL9564487 0.71 MEN1 (0.43) KDM4EMAPK1TOP2ATOP2BALDH1A1
SCHEMBL9564467 0.70 KDM4E (0.41) KDM4EMAPK1POLBALDH1A1HSD17B10

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