Toluene

Toluene

SCHEMBL28296566

Cc1c[nH]c(C)n1.Cc1ccccc1

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
ACHE P22303 1/20 0.48
TDP1 Q9NUW8 2/20 0.35
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
PARP1 P09874 2/20 0.33
TNKS2 Q9H2K2 2/20 0.33
RAB9A P51151 4/20 0.32
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL65108 0.83
SCHEMBL18106839 0.82 KDM4E (0.35) LMNAHPGDKDM4ESMN1; SMN2PARP1
SCHEMBL27150056 0.81
Methane SCHEMBL27872321 0.81
Iodide SCHEMBL27655122 0.81
Methyl Alcohol SCHEMBL28332990 0.79
Acetic Acid SCHEMBL1487896 0.76 NOTUM (0.35) TDP1HPGDKDM4ESMN1; SMN2ALDH1A1
SCHEMBL28166139 0.75
SCHEMBL28166360 0.75
Toluene SCHEMBL1533301 0.72

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-109790292-A Process for preparing polybenzazole polymer (P) 巴斯夫欧洲公司 2019-05-21 CN disclosed