SCHEMBL7610053

SCHEMBL7610053

CC(C)(C)n1cc(OC(=O)O)c(=O)c2cc(F)c(N3C[C@@H]4OCCN[C@@H]4C3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
KDM4E B2RXH2 7/20 0.36
HSD17B10 Q99714 6/20 0.36
LMNA P02545 6/20 0.36
HPGD P15428 5/20 0.36
CYP1A2 P05177 1/20 0.36
TOP2A P11388 1/20 0.36
CYP2C9 P11712 1/20 0.36
TOP2B Q02880 1/20 0.36
BRD4 O60885 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
CYP2J2 P51589 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TOP1 P11387 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL7610615 0.94 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10LMNAHPGD
SCHEMBL7620525 0.93 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10LMNAHPGD
SCHEMBL7614579 0.93 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10LMNAHPGD
SCHEMBL7610047 0.89 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10LMNAHPGD
SCHEMBL9411032 0.86 KDM4E (0.50) ALDH1A1KDM4EHSD17B10LMNAHPGD
Hydrochloric Acid SCHEMBL9411028 0.85 KDM4E (0.49) ALDH1A1KDM4EHSD17B10LMNAHPGD
SCHEMBL7608342 0.84 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10LMNAHPGD
SCHEMBL7617356 0.84 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10LMNAHPGD
SCHEMBL7614110 0.84 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10LMNAHPGD
SCHEMBL7610610 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10LMNAHPGD

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-0946176-B1 THE USE OF 7-(2-OXA-5,8-DIAZABICYCLO 4.3.0]NON-8-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDON CARBOXYLIC ACID DERIVATIVES FOR MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF HELICOBACTER PYLORI INFECTIONS AND ASSOCIATED GASTRODUODENAL DISEASES BAYER AG (DE) 2002-03-27 EP disclosed