SCHEMBL1387672

SCHEMBL1387672

O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)N3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)CS[C@H]12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
TDP1 Q9NUW8 4/20 0.56
HPGD P15428 4/20 0.56
NR1I2 O75469 1/20 0.56
DNMT1 P26358 1/20 0.56
SLC22A6 Q4U2R8 1/20 0.56
SLC22A8 Q8TCC7 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
SLC22A11 Q9NSA0 1/20 0.56
HSD17B10 Q99714 4/20 0.48
KDM4E B2RXH2 4/20 0.48
LMNA P02545 3/20 0.48
CYP3A4 P08684 2/20 0.48
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48
APEX1 P27695 1/20 0.48
KMT2A Q03164 1/20 0.48
PKM P14618 1/20 0.48
POLB P06746 1/20 0.48
PTPN7 P35236 1/20 0.48

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
SCHEMBL8880532 1.00 MAPT (0.56) MAPTTDP1HPGDNR1I2DNMT1
SCHEMBL8191862 0.93 KDM4E (0.47) MAPTTDP1HPGDNR1I2DNMT1
SCHEMBL8183767 0.92 TDP1 (0.56) MAPTTDP1HPGDNR1I2DNMT1
SCHEMBL8192220 0.90 HPGD (0.52) MAPTTDP1HPGDNR1I2DNMT1
SCHEMBL8192212 0.90 HPGD (0.52) MAPTTDP1HPGDNR1I2DNMT1
SCHEMBL22015248 0.90 HPGD (0.54) MAPTTDP1HPGDNR1I2DNMT1
SCHEMBL22015249 0.90 HPGD (0.54) MAPTTDP1HPGDNR1I2DNMT1
SCHEMBL9416051 0.89 TDP1 (0.57) MAPTTDP1HPGDNR1I2DNMT1
SCHEMBL9329792 0.89 L3MBTL1 (0.52) MAPTHPGDHSD17B10KDM4ELMNA
SCHEMBL9021173 0.89 L3MBTL1 (0.52) MAPTHPGDHSD17B10KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775114-B1 PROCESS FOR MAKING ANTIMICROBIAL COMPOUNDS PROCTER & GAMBLE (US) 2000-03-22 EP claimed
JP-H10503521-A 1998-03-31 JP claimed
WO-1996004247-A1 PROCESS FOR MAKING ANTIMICROBIAL COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1996-02-15 WO claimed
WO-1996004286-A1 PROCESS FOR MAKING QUINOLONYL LACTAM ANTIMICROBIALS AND NOVEL INTERMEDIATE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1996-02-15 WO claimed
EP-0775114-B1 PROCESS FOR MAKING ANTIMICROBIAL COMPOUNDS PROCTER & GAMBLE (US) 2000-03-22 EP disclosed
EP-0775114-A1 PROCESS FOR MAKING ANTIMICROBIAL COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1997-05-28 EP disclosed
WO-1996004286-A9 PROCESS FOR MAKING QUINOLONYL LACTAM ANTIMICROBIALS AND NOVEL INTERMEDIATE COMPOUNDS 1997-05-22 WO disclosed
WO-1996004247-A1 PROCESS FOR MAKING ANTIMICROBIAL COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1996-02-15 WO disclosed
WO-1996004286-A1 PROCESS FOR MAKING QUINOLONYL LACTAM ANTIMICROBIALS AND NOVEL INTERMEDIATE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1996-02-15 WO disclosed