SCHEMBL5226001

SCHEMBL5226001

CCCC(F)N1C(=O)C(NCCOc2ccc(C(F)(F)F)cn2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 2/20 0.36
HPGD P15428 1/20 0.35
PLAAT3 P53816 1/20 0.34
PLAAT5 Q96KN8 1/20 0.34
PLAAT2 Q9NWW9 1/20 0.34
PLAAT4 Q9UL19 1/20 0.34
FFAR1 O14842 1/20 0.34
HCRTR1 O43613 4/20 0.33
HCRTR2 O43614 3/20 0.33
EPHX2 P34913 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
MAPK1 P28482 1/20 0.32
LIPE Q05469 2/20 0.32
ADAMTS4 O75173 1/20 0.32
PPARD Q03181 1/20 0.32
GCGR P47871 1/20 0.32
SCN9A Q15858 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL1997004 0.83 NR1H2 (0.41) GABRA5HPGDPLAAT3PLAAT5PLAAT2
SCHEMBL2002918 0.68 MTNR1A (0.41) HPGD
SCHEMBL17844104 0.67 HCRTR1 (0.38) GABRA5HPGDPLAAT3PLAAT5PLAAT2
SCHEMBL2000248 0.66 KDM4E (0.33) MAPK1
SCHEMBL30412809 0.65 NR1H2 (0.45) GABRA5MAPK1SCN9A
SCHEMBL2001884 0.65 NR1H2 (0.45) GABRA5MAPK1SCN9A
SCHEMBL13481259 0.64 HPGD (0.55) GABRA5HPGDMRGPRX4MAPK1LIPE
SCHEMBL1998233 0.64 CA12 (0.45) MAPK1
SCHEMBL1998134 0.63 POLB (0.50)
SCHEMBL10274190 0.63 HPGD (0.54) GABRA5HPGDMRGPRX4MAPK1LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed