SCHEMBL7008749

SCHEMBL7008749

COC(=O)c1cn(-c2ccc(F)c([N+](=O)[O-])c2)c2nc(Cl)c(F)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 5/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
SIRT6 Q8N6T7 1/20 0.37
PIM1 P11309 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TOP1 P11387 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 1/20 0.34
WDR5 P61964 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ITGB1 P05556 1/20 0.34
ITGA5 P08648 1/20 0.34

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
SCHEMBL7010440 0.89 TOP1 (0.45) NPC1ALDH1A1LMNAMAPTPOLB
SCHEMBL7007378 0.77 ALDH1A1 (0.51) NPC1ALDH1A1LMNAMAPTPOLB
SCHEMBL7004219 0.76 ALDH1A1 (0.51) NPC1ALDH1A1LMNAMAPTPOLB
SCHEMBL7008108 0.76 ALDH1A1 (0.53) NPC1ALDH1A1LMNAMAPTPOLB
SCHEMBL7004246 0.76 ALDH1A1 (0.48) NPC1ALDH1A1LMNAMAPTPOLB
SCHEMBL7004200 0.75 TOP1 (0.48) ALDH1A1LMNAMAPTPOLBKDM4E
SCHEMBL27810677 0.75 TOP1 (0.48) ALDH1A1LMNAMAPTPOLBKDM4E
SCHEMBL7012340 0.75 ALDH1A1 (0.51) NPC1ALDH1A1LMNAMAPTPOLB
SCHEMBL7010822 0.75 ALDH1A1 (0.57) NPC1ALDH1A1LMNAMAPTPOLB
SCHEMBL8091107 0.74 NPC1 (0.48) NPC1ALDH1A1LMNAMAPTKDM4E

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-0787720-B1 PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KK (JP) 2003-07-16 EP disclosed
US-5910498-A NOVEL COMPOUNDS HAVING REDUCED CYTOTOXICITY, PHOTOTOXICITY; TREATING BACTERIAL AND VIRAL INFECTIONS WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1999-06-08 US disclosed
EP-0787720-A1 NOVEL PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-06 EP disclosed