SCHEMBL9564472

SCHEMBL9564472

Nc1cc2c(=O)cc(C(=O)O)n(C3CC3)c2cc1N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
GAA P10253 5/20 0.42
HSD17B10 Q99714 5/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NR4A1 P22736 1/20 0.36
IP6K1 Q92551 2/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 3/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
TOP2A P11388 1/20 0.34
CYP2C9 P11712 1/20 0.34
TOP2B Q02880 1/20 0.34
MAPT P10636 4/20 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
SCHEMBL9564482 0.91 KDM4E (0.38) KDM4EGAAHSD17B10POLBTDP1
SCHEMBL9564465 0.90 HSD17B10 (0.45) KDM4EGAAHSD17B10POLBTDP1
SCHEMBL9564467 0.90 KDM4E (0.41) KDM4EGAAHSD17B10POLBL3MBTL1
SCHEMBL9564477 0.86 PIM1 (0.43) KDM4EGAAHSD17B10POLBNR4A1
SCHEMBL9564496 0.83 KCNH2 (0.38) KDM4EGAAHSD17B10POLBNR4A1
SCHEMBL6790985 0.75 ALDH1A1 (0.61) KDM4EHSD17B10SMN1; SMN2NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL6223889 0.74 ALDH1A1 (0.59) KDM4EHSD17B10SMN1; SMN2NPSR1ALDH1A1
SCHEMBL11010865 0.71 MEN1 (0.51) KDM4EHSD17B10SMN1; SMN2ALDH1A1LMNA
SCHEMBL27342078 0.70 KDM4E (0.41) KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL9749773 0.70 KDM4E (0.42) KDM4EHSD17B10SMN1; SMN2NPSR1ALDH1A1

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