SCHEMBL5666396

SCHEMBL5666396

O=C(O)N(Nc1ccc(N2CCNCC2)cc1)c1ccc(CN2C(=O)C(Nc3ccc(N4CCOCC4)cc3)=C(c3ccccc3)S2(O)O)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 4/20 0.37
JAK2 O60674 4/20 0.36
SYK P43405 1/20 0.36
DGAT1 O75907 1/20 0.35
IGF1R P08069 1/20 0.34
ZAP70 P43403 1/20 0.34
FLT3 P36888 1/20 0.34
ABL1 P00519 2/20 0.34
NTRK1 P04629 2/20 0.34
YES1 P07947 2/20 0.34
KDR P35968 2/20 0.34
MAPT P10636 2/20 0.34
PIM1 P11309 1/20 0.34
MAPK1 P28482 1/20 0.34
HIPK1 Q86Z02 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
JAK3 P52333 2/20 0.34
GAA P10253 1/20 0.34
LCK P06239 1/20 0.34

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
SCHEMBL3487939 0.81 DGAT1 (0.42) STAT6JAK2DGAT1MAPTALDH1A1
SCHEMBL3487943 0.73 NR1H2 (0.44) STAT6JAK2DGAT1MAPTALDH1A1
SCHEMBL3487282 0.73 NR1H2 (0.46) STAT6JAK2SYKIGF1RZAP70
SCHEMBL3487718 0.66 NR1H2 (0.58) JAK2SYKIGF1RZAP70ABL1
SCHEMBL4690096 0.65 NR1H2 (0.51) STAT6JAK2SYKFLT3ABL1
SCHEMBL3487297 0.64 NR1H2 (0.46) STAT6JAK2MAPTMAPK1ALDH1A1
SCHEMBL3487580 0.63 NR1H2 (0.54) JAK2SYKIGF1RZAP70ABL1
SCHEMBL3488372 0.62 NR1H2 (0.53) JAK2SYKDGAT1IGF1RZAP70
SCHEMBL3487254 0.61 NR1H2 (0.60) JAK2SYKIGF1RZAP70MAPT
SCHEMBL4685753 0.61 NR1H2 (0.41) STAT6JAK2SYKIGF1RFLT3

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-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