SCHEMBL9564496

SCHEMBL9564496

CC1CN(c2cc3c(cc2N)c(=O)cc(C(=O)O)n3C2CC2)CC(C)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
POLB P06746 2/20 0.38
CACNA1F O60840 1/20 0.38
MAPK1 P28482 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
NR4A1 P22736 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PRKD3 O94806 1/20 0.32
PIM1 P11309 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
IRAK1 P51617 1/20 0.32
RPS6KA3 P51812 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
SCHEMBL9564472 0.83 KDM4E (0.42) POLBMAPK1MEN1KMT2AKDM4E
SCHEMBL9564465 0.82 HSD17B10 (0.45) POLBKDM4EGAANR4A1HSD17B10
SCHEMBL9564467 0.82 KDM4E (0.41) POLBMAPK1MEN1KMT2AKDM4E
SCHEMBL9564477 0.81 PIM1 (0.43) POLBKMT2AKDM4EGAANR4A1
SCHEMBL9564482 0.81 KDM4E (0.38) POLBKDM4EGAANR4A1HSD17B10
SCHEMBL9749773 0.75 KDM4E (0.42) KDM4EHSD17B10PRKD3PIM1GSK3A
SCHEMBL6790985 0.69 ALDH1A1 (0.61) KDM4EHSD17B10PRKD3PIM1GSK3A
Hydrochloric Acid SCHEMBL6223889 0.67 ALDH1A1 (0.59) KDM4EHSD17B10PRKD3PIM1GSK3A
SCHEMBL9365247 0.67 ALDH1A1 (0.42) POLBMAPK1MEN1KMT2AKDM4E
SCHEMBL10377651 0.67 ALDH1A1 (0.63) MEN1KMT2AKDM4EGAAHSD17B10

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