SCHEMBL7004561

SCHEMBL7004561

O=C(O)CCN1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 1.00
MAPT P10636 2/20 0.71
MAPK1 P28482 1/20 0.71
ATM Q13315 1/20 0.71
PTPN1 P18031 5/20 0.65
PTPN2 P17706 4/20 0.65
CDC25B P30305 4/20 0.65
CISD1 Q9NZ45 2/20 0.62
MAOA P21397 1/20 0.62
HIF1AN Q9NWT6 1/20 0.60
MAP3K5 Q99683 3/20 0.59
TAS2R14 Q9NYV8 1/20 0.59
KDM4E B2RXH2 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
CTNNB1 P35222 1/20 0.56
TCF7L2 Q9NQB0 1/20 0.56
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL12008432 1.00 PPARG (1.00) PPARGMAPTMAPK1ATMPTPN1
SCHEMBL12008475 0.93 PPARG (0.88) PPARGMAPTMAPK1ATMPTPN1
SCHEMBL17319255 0.89 PPARG (0.80) PPARGMAPTMAPK1ATMPTPN1
SCHEMBL10492235 0.88 PPARG (0.79) PPARGMAPTMAPK1ATMKMT2A
SCHEMBL10492231 0.88 PPARG (0.79) PPARGMAPTMAPK1ATMKMT2A
SCHEMBL12008533 0.88 PPARG (0.78) PPARGMAPTMAPK1ATMPTPN1
SCHEMBL17319556 0.87 PPARG (0.77) PPARGMAPTMAPK1ATMPTPN1
SCHEMBL12008790 0.86 PPARG (0.76) PPARGMAPTCISD1MAOAMAP3K5
SCHEMBL4416909 0.84 PPARG (0.72) PPARGMAPTMAPK1ATMPTPN1
SCHEMBL4416907 0.84 PPARG (0.72) PPARGMAPTMAPK1ATMPTPN1

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-1128832-A4 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2003-03-05 EP disclosed
EP-1128832-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2001-09-05 EP disclosed
WO-2000010573-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2000-03-02 WO disclosed