SCHEMBL5204504

SCHEMBL5204504

COc1cc(C(F)(F)F)cc(C(=S)Cl)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
MAPT P10636 4/20 0.37
LMNA P02545 4/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 4/20 0.37
TP53 P04637 1/20 0.37
DUSP3 P51452 2/20 0.36
PTPN7 P35236 1/20 0.36
GAK O14976 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
EGFR P00533 2/20 0.35
RIPK2 O43353 2/20 0.35
NLK Q9UBE8 2/20 0.35
HTT P42858 2/20 0.35
EPHB6 O15197 1/20 0.35
ABL1 P00519 1/20 0.35
LCK P06239 1/20 0.35

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
SCHEMBL27879093 0.84 CYP2C19 (0.44) CYP3A4CYP2C19CYP1A2CYP2C9MAPT
SCHEMBL5316664 0.79 DUSP3 (0.48) CYP3A4CYP2C19CYP1A2CYP2C9MAPT
SCHEMBL8118435 0.79 KDM4E (0.49) CYP3A4CYP2C19CYP1A2CYP2C9MAPT
SCHEMBL3548210 0.71 MAPT (0.44) CYP3A4CYP2C19CYP1A2CYP2C9MAPT
Hydrochloric Acid SCHEMBL8116543 0.71 SLC9A1 (0.46) CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL423901 0.69 GPR35 (0.41) CYP3A4CYP2C19CYP1A2CYP2C9MAPT
Hydrochloric Acid SCHEMBL8116539 0.69 CYP2C19 (0.40) CYP3A4CYP2C19CYP1A2CYP2C9MAPT
SCHEMBL6158493 0.68 MAPT (0.44) CYP3A4CYP2C19CYP1A2CYP2C9MAPT
SCHEMBL3548311 0.67 HDAC3 (0.42) CYP3A4CYP2C19CYP1A2MAPTALDH1A1
SCHEMBL23554368 0.67 ABCG2 (0.41) CYP3A4CYP2C19CYP1A2CYP2C9MAPT

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