SCHEMBL22915185

SCHEMBL22915185

C/C=C/N=C/c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 2/20 0.42
▸ GRIN3B O60391 2/20 0.42
▸ GRIN1 Q05586 2/20 0.42
▸ GRIN2A Q12879 2/20 0.42
▸ GRIN2B Q13224 2/20 0.42
▸ GRIN2C Q14957 2/20 0.42
▸ GRIN3A Q8TCU5 2/20 0.42
▸ NFE2L2 Q16236 3/20 0.40
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MPO P05164 1/20 0.39
▸ TRPA1 O75762 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ APP P05067 1/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36

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
SCHEMBL22915170 0.78 MAOB (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11065985 0.77 LMNA (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11065989 0.77 LMNA (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15203333 0.72 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22915197 0.71 KIF11 (0.44) —
SCHEMBL12010979 0.71 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11742077 0.71 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7653327 0.69 NFE2L2 (0.61) NFE2L2TRPA1APPPTGS2PTGS1
SCHEMBL13475614 0.69 NFE2L2 (0.61) NFE2L2TRPA1APPPTGS2PTGS1
SCHEMBL5811231 0.69 NFE2L2 (0.61) NFE2L2TRPA1APPPTGS2PTGS1

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-3770146-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Mitobridge, Inc. (US) 2021-01-27 — — EP disclosed
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