SCHEMBL9564452

SCHEMBL9564452

CCOC(=O)c1cc(=O)c2cc([N+](=O)[O-])c(Cl)cc2n1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
POLB P06746 4/20 0.51
ALDH1A1 P00352 5/20 0.49
MAPT P10636 5/20 0.49
LMNA P02545 1/20 0.49
KDM4E B2RXH2 3/20 0.39
HTT P42858 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
CHRNA7 P36544 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
VCAM1 P19320 1/20 0.38
THRB P10828 1/20 0.37

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
SCHEMBL9564491 0.78 POLB (0.54) NPC1POLBALDH1A1MAPTLMNA
SCHEMBL10474375 0.77 MAPT (0.47) NPC1POLBALDH1A1MAPTLMNA
SCHEMBL9987119 0.71 MAPK1 (0.51) POLBALDH1A1MAPTKDM4EHTT
SCHEMBL28341774 0.66 MAPK1 (0.53) NPC1POLBALDH1A1MAPTKDM4E
SCHEMBL23886812 0.66 L3MBTL1 (0.48) NPC1ALDH1A1MAPTLMNAKDM4E
SCHEMBL30176410 0.66 L3MBTL1 (0.48) NPC1ALDH1A1MAPTLMNAKDM4E
SCHEMBL22760420 0.66 MAPT (0.47) NPC1ALDH1A1MAPTKDM4ETDP1
SCHEMBL6298947 0.66 NOD2 (0.68) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL10003762 0.65 POLB (0.44) NPC1POLBMAPTLMNAKDM4E
SCHEMBL10473197 0.65 POLB (0.71) NPC1POLBALDH1A1MAPTLMNA

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