SCHEMBL5316664

SCHEMBL5316664

COc1ccc(C(F)(F)F)cc1C(=S)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 2/20 0.48
PTPN7 P35236 1/20 0.48
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
RAB9A P51151 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
CFTR P13569 1/20 0.40
THRB P10828 1/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SCN8A Q9UQD0 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
SCHEMBL344681 0.83 MAPT (0.48) MAPTPTGDR2LMNAKDM4EHPGD
SCHEMBL16962658 0.81 L3MBTL1 (0.45) DUSP3PTPN7MAPTL3MBTL1RAB9A
SCHEMBL5204504 0.79 CYP3A4 (0.39) DUSP3PTPN7MAPTLMNAKDM4E
SCHEMBL345774 0.78 KDM4E (0.58) PTGDR2KDM4EHPGDCFTRCYP2C19
SCHEMBL320173 0.78 CYP2C19 (0.50) MAPTKDM4EHPGDCFTRCYP2C19
SCHEMBL10577813 0.77 ACHE (0.54) MAPTL3MBTL1RAB9ALMNAKDM4E
Hydrochloric Acid SCHEMBL10978991 0.77 KDM4E (0.56) PTGDR2KDM4EHPGDCFTRCYP2C19
SCHEMBL4638408 0.77 CFTR (0.50) MAPTL3MBTL1RAB9AKDM4EHPGD
SCHEMBL29617695 0.77 CFTR (0.50) MAPTL3MBTL1RAB9AKDM4EHPGD
SCHEMBL4070406 0.77 CFTR (0.62) MAPTLMNAKDM4EHPGDCFTR

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-1539744-A4 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARM INC (US) 2007-06-06 EP disclosed
EP-1539744-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-06-15 EP disclosed
WO-2004007444-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-01-22 WO disclosed