SCHEMBL9564482

SCHEMBL9564482

Nc1cc2c(=O)cc(C(=O)O)n(C3CC3)c2cc1N1CCC(O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
HSD17B10 Q99714 4/20 0.38
GAA P10253 3/20 0.38
POLB P06746 2/20 0.38
NR4A1 P22736 1/20 0.38
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
LMNA P02545 2/20 0.33
PIK3CA P42336 2/20 0.33
CYP1A2 P05177 1/20 0.33
TOP2A P11388 1/20 0.33
CYP2C9 P11712 1/20 0.33
TOP2B Q02880 1/20 0.33
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
PBRM1 Q86U86 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BRD1 O95696 1/20 0.32
TAF1 P21675 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 0.91 KDM4E (0.42) KDM4EHSD17B10GAAPOLBNR4A1
SCHEMBL9564465 0.87 HSD17B10 (0.45) KDM4EHSD17B10GAAPOLBNR4A1
SCHEMBL9564467 0.87 KDM4E (0.41) KDM4EHSD17B10GAAPOLBNR4A1
SCHEMBL9564477 0.86 PIM1 (0.43) KDM4EHSD17B10GAAPOLBNR4A1
SCHEMBL9564496 0.81 KCNH2 (0.38) KDM4EHSD17B10GAAPOLBNR4A1
Hydrochloric Acid SCHEMBL6223889 0.72 ALDH1A1 (0.59) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL10377651 0.71 ALDH1A1 (0.63) KDM4EHSD17B10GAAALDH1A1HPGD
SCHEMBL9365247 0.69 ALDH1A1 (0.42) KDM4EHSD17B10GAAPOLBALDH1A1
SCHEMBL11010865 0.69 MEN1 (0.51) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL27342078 0.69 KDM4E (0.41) KDM4EHSD17B10ALDH1A1HPGD

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