SCHEMBL7495845

SCHEMBL7495845

O=C(O)Oc1cn(C2CC2)c2cc(F)c(F)c(O)c2c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 7/20 0.38
▸ TOP2B Q02880 7/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ PIK3CD O00329 4/20 0.34
▸ PIK3R1 P27986 4/20 0.34
▸ PIK3CA P42336 4/20 0.34
▸ PIK3CG P48736 4/20 0.34
▸ POLB P06746 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 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
SCHEMBL10757399 0.90 KCNH2 (0.39) TOP2ATOP2BALDH1A1KDM4ELMNA
SCHEMBL7498379 0.88 KCNH2 (0.46) TOP2ATOP2BALDH1A1KDM4ELMNA
SCHEMBL7495837 0.81 KCNH2 (0.51) TOP2ATOP2BALDH1A1KDM4ELMNA
SCHEMBL6213672 0.81 KCNH2 (0.36) TOP2ATOP2BALDH1A1KDM4ELMNA
SCHEMBL9416465 0.81 TOP2A (0.42) TOP2ATOP2BALDH1A1KDM4EHPGD
SCHEMBL6216507 0.81 TOP2A (0.39) TOP2ATOP2BKCNH2GSK3BPOLB
SCHEMBL6217185 0.80 KDM4E (0.50) TOP2ATOP2BALDH1A1KDM4ELMNA
SCHEMBL9416480 0.78 TOP2A (0.43) TOP2ATOP2BALDH1A1KDM4EHPGD
SCHEMBL9416446 0.78 TOP2A (0.40) TOP2ATOP2BALDH1A1KDM4EHPGD
SCHEMBL9416473 0.78 TOP2A (0.40) TOP2ATOP2BALDH1A1KCNH2GSK3B

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-0944385-B1 USE OF 7-(1-AMINOMETHYL-2-OXA-7-AZA-BICYCLO 3.3.0]OCT-7-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDONE CARBOXYLIC ACID DERIVATIVES FOR TREATING HELICOBACTER PYLORI INFECTIONS AND THE GASTRODUODENAL DISEASES ASSOCIATED THEREWITH BAYER AG (DE) 2002-10-16 — — EP disclosed
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