SCHEMBL27858798

SCHEMBL27858798

CC(=O)c1ccc(OCc2ccsc2-c2ccc(C#N)nc2)c(C)c1O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GRM2 Q14416 5/20 0.40
▸ CYSLTR1 Q9Y271 6/20 0.39
▸ CYSLTR2 Q9NS75 3/20 0.39
▸ CTSA P10619 1/20 0.34
▸ MELK Q14680 1/20 0.33
▸ POLQ O75417 1/20 0.33
▸ GSTP1 P09211 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 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
SCHEMBL27858793 0.89 CYSLTR1 (0.41) MAPTCYP2C9GRM2CYSLTR1CYSLTR2
SCHEMBL27858794 0.81 MAPT (0.50) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL3167208 0.74 MAPT (0.56) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL27858791 0.72 MAPT (0.45) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL27711658 0.71 CTSA (0.41) CYP2C19GRM2CTSAPDE10A
SCHEMBL3166945 0.70 GRM2 (0.54) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL6245068 0.67 GRM2 (0.62) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL6244454 0.65 GRM2 (0.60) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL27858800 0.65 MAPT (0.60) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL9178096 0.65 CYSLTR2 (0.58) 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
CN-101061105-B Potentiators of glutamate receptors LILLY CO ELI 2012-05-30 — — CN disclosed
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