Toluene

Toluene

SCHEMBL27718296

Cc1ccccc1.Nc1cc(=O)[nH]c(=O)[nH]1

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ TSHR P16473 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ XDH P47989 2/20 0.41
▸ GPR84 Q9NQS5 2/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TNKS2 Q9H2K2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38

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
SCHEMBL189997 0.82 — —
Toluene SCHEMBL21981709 0.77 LMNA (0.61) CA1MAPTHTTTSHRLMNA
Toluene SCHEMBL3828832 0.77 LMNA (0.61) CA1MAPTHTTTSHRLMNA
SCHEMBL11929402 0.69 — —
Toluene SCHEMBL27369397 0.67 — —
Toluene SCHEMBL25403043 0.67 ACHE (0.92) CA1HTTTSHRLMNAALOX12
Toluene SCHEMBL10862849 0.67 — —
Toluene SCHEMBL10861620 0.67 — —
Toluene SCHEMBL10346299 0.65 ACHE (0.73) CA1MAPTHTTTSHRLMNA
Toluene SCHEMBL7662176 0.64 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101809075-B Stabilizer system for halogenated polymers NABALTEC AG 2013-04-24 — — CN disclosed
CN-101809075-A Stabilizer system for halogenated polymers NABALTEC AG 2010-08-18 — — CN disclosed
CN-101155785-A Novel adenosine a3 receptor modulators KING PHARMACEUTICALS RES & DEV (US) 2008-04-02 — — CN disclosed
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