SCHEMBL5607253

SCHEMBL5607253

CCCCn1sc(-c2ccccc2)c(Nc2ccc(OC(F)F)cc2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
TEAD4 Q15561 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
P2RX3 P56373 4/20 0.34
BCDIN3D Q7Z5W3 3/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
GALR2 O43603 1/20 0.34
BMI1 P35226 2/20 0.33

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
SCHEMBL5614183 0.89 P2RX3 (0.37) ALDH1A1KMT2ANPSR1P2RX3
SCHEMBL17844142 0.86 GAA (0.38) MAPTALDH1A1NPSR1LMNAFAAH
SCHEMBL5606522 0.86 PLK1 (0.41) MAPTMEN1ALDH1A1KMT2AADAMTS5
SCHEMBL5606992 0.84 P2RX3 (0.41) MAPTMEN1ALDH1A1KMT2ATEAD4
SCHEMBL5606915 0.84 ALDH1A1 (0.43) MAPTMEN1ALDH1A1KMT2ATEAD4
SCHEMBL5606238 0.81 PGR (0.38) MAPTMEN1ALDH1A1KMT2ANPSR1
SCHEMBL5613996 0.77 MAPT (0.46) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL5607329 0.77 NPC1 (0.41) MEN1ALDH1A1KMT2ANPSR1LMNA
SCHEMBL5613790 0.76 P2RX3 (0.35) MAPTMEN1ALDH1A1KMT2ATEAD4
SCHEMBL17844161 0.75 FAAH (0.44) MAPTMEN1ALDH1A1KMT2ANPSR1

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 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