Toluene

Toluene

SCHEMBL1726243

Cc1ccccc1.Clc1nnnc(Cl)c1Cl

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
TSHR P16473 3/20 0.50
ALOX12 P18054 1/20 0.50
ACHE P22303 1/20 0.50
KDR P35968 1/20 0.39
HPGD P15428 5/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
POLB P06746 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
Toluene SCHEMBL20644134 0.75 TSHR (0.42) LMNATSHRALOX12ACHEKDR
Toluene SCHEMBL4955349 0.75 ACHE (0.69) LMNATSHRALOX12ACHEHPGD
Toluene SCHEMBL5141031 0.71
Toluene SCHEMBL28987173 0.71 ACHE (0.85) LMNATSHRALOX12ACHEHPGD
Toluene SCHEMBL10989418 0.71
Toluene SCHEMBL4429042 0.71 ACHE (1.00) LMNATSHRALOX12ACHEHPGD
Toluene SCHEMBL175861 0.71 ACHE (1.00) LMNATSHRALOX12ACHEHPGD
Toluene SCHEMBL8824270 0.71 ACHE (1.00) LMNATSHRALOX12ACHEHPGD
Toluene SCHEMBL4535818 0.71 ACHE (1.00) LMNATSHRALOX12ACHEHPGD
SCHEMBL12344943 0.71 ACHE (1.00) LMNATSHRALOX12ACHEHPGD

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-2404900-A1 METHOD FOR PRODUCING AMIDE COMPOUND Ube Industries, Ltd. (JP) 2012-01-11 EP disclosed