SCHEMBL5606915

SCHEMBL5606915

Cn1sc(-c2ccccc2)c(Nc2ccc(OC(F)F)cc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TEAD4 Q15561 1/20 0.43
NPSR1 Q6W5P4 2/20 0.40
GALR2 O43603 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
REN P00797 1/20 0.37
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37

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
SCHEMBL5607253 0.84 MAPT (0.38) ALDH1A1MAPTMEN1KMT2ATEAD4
SCHEMBL5606992 0.82 P2RX3 (0.41) ALDH1A1MAPTMEN1KMT2ATEAD4
SCHEMBL5613790 0.74 P2RX3 (0.35) ALDH1A1MAPTMEN1KMT2ATEAD4
SCHEMBL5614183 0.73 P2RX3 (0.37) ALDH1A1KMT2ANPSR1GAAKDM4E
SCHEMBL21258692 0.69 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2ATEAD4
SCHEMBL17844142 0.69 GAA (0.38) ALDH1A1MAPTNPSR1GAAHPGD
SCHEMBL3487236 0.69 MAPT (0.43) ALDH1A1MAPTMEN1KMT2ATEAD4
SCHEMBL5606522 0.68 PLK1 (0.41) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL5607055 0.66 DGAT1 (0.48) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL4688571 0.66 NR1H2 (0.58) ALDH1A1MAPTMEN1KMT2ATEAD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838686-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP claimed
WO-2006073363-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO claimed
EP-1838686-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073363-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed