SCHEMBL5200606

SCHEMBL5200606

CCCCn1sc(-c2ccccc2)c(NCc2ccc(OC)cc2)c1=O.COCCN1C(=O)C(NCc2ccc3c(c2)OCO3)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 7/20 0.36
MAPT P10636 6/20 0.36
HPGD P15428 4/20 0.36
GAA P10253 3/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TP53 P04637 2/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
CNR2 P34972 1/20 0.36
MAPK1 P28482 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HSD17B10 Q99714 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
SCHEMBL1999415 0.82 HPGD (0.48) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL17844140 0.82 SMN1; SMN2 (0.49) MEN1KMT2ASMN1; SMN2L3MBTL1LMNA
SCHEMBL3503724 0.81 MAPT (0.45) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL2001526 0.80 SMN1; SMN2 (0.52) MEN1KMT2ASMN1; SMN2L3MBTL1LMNA
SCHEMBL17844158 0.78 GAA (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2004764 0.76 MAPT (0.45) SMN1; SMN2LMNAALDH1A1MAPTGAA
SCHEMBL5186011 0.70 ALDH1A1 (0.48) MEN1KMT2ASMN1; SMN2L3MBTL1LMNA
SCHEMBL5198581 0.70 SMN1; SMN2 (0.35) MEN1KMT2ASMN1; SMN2L3MBTL1LMNA
SCHEMBL1998121 0.68 CA12 (0.48) L3MBTL1ALDH1A1HPGDGAACNR2
SCHEMBL17844132 0.67 FAAH (0.39) MEN1KMT2AALDH1A1HPGDRAB9A

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