Toluene

Toluene

SCHEMBL8967252

CNS(N)(=O)=O.Cc1ccccc1

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
ACHE P22303 1/20 0.52
CA1 P00915 7/20 0.50
CA2 P00918 7/20 0.50
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CA12 O43570 6/20 0.44
CA9 Q16790 6/20 0.44
CA7 P43166 3/20 0.44
CA3 P07451 2/20 0.44
CA6 P23280 2/20 0.44
CA5A P35218 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
CA14 Q9ULX7 2/20 0.43
CA4 P22748 1/20 0.42
PLA2G7 Q13093 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CYP1A2 P05177 2/20 0.41

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
Toluene SCHEMBL664006 0.85 ALOX12 (0.65) ALOX12LMNATSHRACHECA1
Toluene SCHEMBL29254309 0.84 ALOX12 (0.50) ALOX12LMNATSHRACHECA1
Toluene SCHEMBL10575248 0.84 ALOX12 (0.50) ALOX12LMNATSHRACHECA1
Toluene SCHEMBL4651397 0.84 ALOX12 (0.50) ALOX12LMNATSHRACHECA1
Phenylsulfamide SCHEMBL7425147 0.80 CA1 (0.79) ALOX12LMNATSHRACHECA1
Toluene SCHEMBL27280596 0.80 ALOX12 (0.58) ALOX12LMNATSHRACHECA1
Toluene SCHEMBL821885 0.80 TSHR (0.58) ALOX12LMNATSHRACHECA1
Toluene SCHEMBL27594905 0.80 LMNA (0.58) ALOX12LMNATSHRACHECA1
Toluene SCHEMBL28945577 0.80 ALOX12 (0.58) ALOX12LMNATSHRACHECA1
Toluene SCHEMBL2927492 0.79 CA2 (0.52) ALOX12LMNATSHRACHECA1

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
US-5494983-A Method for anionic polymerization of acrylic and methacrylic acid derivatives and acrylonitrile methacrylonitrile using resonance stabilized anions Reetz, Manfred T. (DE) 1996-02-27 US disclosed