SCHEMBL10245317

SCHEMBL10245317

C=C(O)c1cccc(Cc2ccc(COc3ccc(C(C)=O)c(O)c3I)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYSLTR1 Q9Y271 7/20 0.43
GRM2 Q14416 6/20 0.43
MAOB P27338 2/20 0.42
MRGPRX4 Q96LA9 2/20 0.42
CYSLTR2 Q9NS75 1/20 0.41
FOLH1 Q04609 1/20 0.40
PDE5A O76074 2/20 0.40
PTGER1 P34995 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL481193 0.92 MAPT (0.53) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL481040 0.88 SMN1; SMN2 (0.48) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL1755812 0.84 MAPT (0.45) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL27705271 0.83 MAPT (0.53) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL10246006 0.83 CYP2C9 (0.46) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL31069853 0.82 MAPT (0.72) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL481470 0.82 CYSLTR1 (0.64) CYSLTR1GRM2MRGPRX4CYSLTR2
SCHEMBL481620 0.82 MAPT (0.48) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL10245928 0.81 CYSLTR1 (0.44) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL481209 0.80 MAPT (0.70) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1

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-1817301-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2012-02-01 EP disclosed