SCHEMBL1755812

SCHEMBL1755812

CC(=O)c1ccc(OCc2ccc(Cc3cccc(C(=N)NN)c3)cc2)c(I)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYSLTR1 Q9Y271 4/20 0.39
GRM2 Q14416 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 2/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
PDE5A O76074 3/20 0.38
CYSLTR2 Q9NS75 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL481040 0.86 SMN1; SMN2 (0.48) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL481193 0.86 MAPT (0.53) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL1755719 0.85 MAPT (0.44) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL10245317 0.84 MAPT (0.51) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL1755718 0.84 GRM2 (0.41) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL1755744 0.82 SMPD1 (0.41) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL481620 0.79 MAPT (0.48) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL27705271 0.78 MAPT (0.53) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL481470 0.77 CYSLTR1 (0.64) CYSLTR1GRM2CYSLTR2MRGPRX4
SCHEMBL31069853 0.77 MAPT (0.72) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1

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-2441762-A1 Potentiators of Glutamate Receptors Eli Lilly and Company (US) 2012-04-18 EP disclosed