SCHEMBL5669092

SCHEMBL5669092

Cc1c(CN)cnc2c(O)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
LMNA P02545 4/20 0.46
MAPT P10636 2/20 0.46
ALOX12 P18054 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
ATP4A P20648 1/20 0.42
ATP4B P51164 1/20 0.42
HTT P42858 3/20 0.40
SLC6A2 P23975 1/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PAX8 Q06710 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL1715320 0.78 CCR1 (0.61) KDM4ELMNAMAPTALOX12TP53
SCHEMBL4296866 0.76 CCR1 (0.59) KDM4ELMNAMAPTALOX12TP53
SCHEMBL28085917 0.76 CCR1 (0.59) KDM4ELMNAMAPTALOX12TP53
SCHEMBL2431810 0.76 CCR1 (0.59) KDM4ELMNAMAPTALOX12TP53
SCHEMBL4303286 0.76 CCR1 (0.59) KDM4ELMNAMAPTALOX12TP53
SCHEMBL4310097 0.76 CCR1 (0.59) KDM4ELMNAMAPTALOX12TP53
SCHEMBL30284810 0.76 CCR1 (0.59) KDM4ELMNAMAPTALOX12TP53
SCHEMBL13313340 0.70 KDM4E (0.45) KDM4ELMNAMAPTALOX12TP53
SCHEMBL5398644 0.69 TRPA1 (0.50) MAPTTP53TSHRGAA
SCHEMBL2518170 0.68 KDM4E (0.74) KDM4ELMNAMAPTALOX12TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401440-A4 METHODS OF USE OF FLUOROQUINOLONE COMPOUNDS AGAINST BACTERIA LG LIFE SCIENCES LTD (KR) 2006-07-05 EP disclosed
EP-1401440-A1 METHODS OF USE OF FLUOROQUINOLONE COMPOUNDS AGAINST BACTERIA Smithkline Beecham (US) 2004-03-31 EP disclosed
WO-2001015695-A1 METHODS OF USE OF FLUOROQUINOLONE COMPOUNDS AGAINST BACTERIA SMITHKLINE BEECHAM CORPORATION (US) 2001-03-08 WO disclosed