SCHEMBL13617511

SCHEMBL13617511

CCCc1c(OCc2ccc(S(=O)(=O)Nc3ccccc3C3=NNNN3C)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 16/20 0.46
CYSLTR2 Q9NS75 7/20 0.46
GRM2 Q14416 10/20 0.45
CTSD P07339 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX5 P09917 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2895754 0.82 CYSLTR1 (0.67) CYSLTR1CYSLTR2GRM2TDP1MEN1
SCHEMBL2895840 0.79 CYSLTR1 (0.48) CYSLTR1CYSLTR2GRM2CTSDTDP1
SCHEMBL2888109 0.74 GRM2 (0.64) CYSLTR1CYSLTR2GRM2TDP1MEN1
SCHEMBL2888610 0.74 CYSLTR1 (0.50) CYSLTR1CYSLTR2GRM2CTSD
SCHEMBL2894083 0.73 CYSLTR1 (0.60) CYSLTR1CYSLTR2GRM2CTSDTDP1
SCHEMBL2887790 0.72 CYSLTR1 (0.52) CYSLTR1CYSLTR2GRM2CTSDTDP1
SCHEMBL2888212 0.72 CYSLTR1 (0.55) CYSLTR1CYSLTR2GRM2CTSDMEN1
SCHEMBL2887756 0.72 AR (0.51) CYSLTR1CYSLTR2GRM2CTSDTDP1
SCHEMBL2896270 0.72 TCF4 (0.51) CYSLTR1CYSLTR2GRM2CTSDSMN1; SMN2
SCHEMBL2892301 0.72 CYSLTR1 (0.55) CYSLTR1CYSLTR2GRM2CTSDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817296-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-11-04 EP disclosed