SCHEMBL9564477

SCHEMBL9564477

Nc1cc2c(=O)cc(C(=O)O)n(C3CC3)c2cc1N1CCC(N)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.43
PIM3 Q86V86 3/20 0.43
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
PRKD3 O94806 1/20 0.43
IRAK1 P51617 1/20 0.43
RPS6KA3 P51812 1/20 0.43
DYRK1A Q13627 1/20 0.43
CSNK1G3 Q9Y6M4 1/20 0.43
TOP1 P11387 3/20 0.37
OPRM1 P35372 3/20 0.37
OPRD1 P41143 3/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
NR4A1 P22736 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL9564482 0.86 KDM4E (0.38) PIM1PIM3GSK3AGSK3BPRKD3
SCHEMBL9564472 0.86 KDM4E (0.42) POLBALDH1A1KDM4EGAANR4A1
SCHEMBL9564467 0.83 KDM4E (0.41) POLBALDH1A1KDM4EGAANR4A1
SCHEMBL9564465 0.83 HSD17B10 (0.45) POLBALDH1A1KDM4EGAANR4A1
SCHEMBL9564496 0.81 KCNH2 (0.38) PIM1PIM3GSK3AGSK3BPRKD3
SCHEMBL6800209 0.70 PIM1 (0.51) PIM1PIM3GSK3AGSK3BPRKD3
SCHEMBL6790985 0.70 ALDH1A1 (0.61) PIM1PIM3GSK3AGSK3BPRKD3
SCHEMBL13713252 0.70 PIM1 (0.51) PIM1PIM3GSK3AGSK3BPRKD3
SCHEMBL9749773 0.69 KDM4E (0.42) PIM1PIM3GSK3AGSK3BPRKD3
Hydrochloric Acid SCHEMBL6248075 0.69 KDM4E (0.60) PIM1PIM3GSK3AGSK3BPRKD3

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