Toluene

Toluene

SCHEMBL28107709

COCCOCCOCCO.Cc1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
TSHR P16473 5/20 0.42
LMNA P02545 2/20 0.42
ALOX12 P18054 1/20 0.42
ACHE P22303 1/20 0.42
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPK1 P28482 1/20 0.39
CA2 P00918 1/20 0.38
KCNH3 Q9ULD8 1/20 0.36
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35

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 SCHEMBL11563168 0.90 TSHR (0.52) MEN1KMT2ATSHRLMNAALOX12
Toluene SCHEMBL8205760 0.90 TSHR (0.52) MEN1KMT2ATSHRLMNAALOX12
Toluene SCHEMBL306002 0.88 TSHR (0.50) MEN1KMT2ATSHRLMNAALOX12
Diethylene Glycol Monoethyl Ether SCHEMBL28056157 0.85 ALDH1A1 (0.54) MEN1KMT2ATSHRLMNAALOX12
Toluene SCHEMBL4761329 0.83 TSHR (0.61) MEN1KMT2ATSHRLMNAALOX12
Diphenylether SCHEMBL28826764 0.83 ALDH1A1 (0.48) MEN1KMT2ATSHRALDH1A1RECQL
Toluene SCHEMBL4915685 0.82 LMNA (0.48) MEN1KMT2ATSHRLMNAALOX12
SCHEMBL28413671 0.81 MEN1 (0.40) MEN1KMT2ATSHRLMNAALDH1A1
SCHEMBL28518838 0.81 SMN1; SMN2 (0.44) MEN1KMT2ATSHRLMNAALDH1A1
SCHEMBL21066285 0.81 TSHR (0.48) MEN1KMT2ATSHRLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106009020-B The fluorinated film of hydrophilic modifying 帕尔公司 2019-03-22 CN disclosed
CN-106009020-A HYDROPHILICALLY MODIFIED FLUORINATED MEMBRANE 帕尔公司 2016-10-12 CN disclosed