Toluene

Toluene

SCHEMBL28069293

CCCCCCCCCCCCCCCCCCC(Cc1ccccc1)N(C)C.Cc1ccccc1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.49
SIGMAR1 Q99720 5/20 0.41
KCNH2 Q12809 2/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRK1 P41145 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CNR2 P34972 1/20 0.38
MMP2 P08253 6/20 0.38
MMP1 P03956 2/20 0.38
MMP3 P08254 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
SCHEMBL22442308 0.94 CSNK1E (0.54) CSNK1ESIGMAR1KCNH2ADRA2BADRA2C
SCHEMBL1478589 0.94 CSNK1E (0.54) CSNK1ESIGMAR1KCNH2ADRA2BADRA2C
SCHEMBL3132588 0.94 CSNK1E (0.54) CSNK1ESIGMAR1KCNH2ADRA2BADRA2C
SCHEMBL6230835 0.94 CSNK1E (0.54) CSNK1ESIGMAR1KCNH2ADRA2BADRA2C
SCHEMBL8079460 0.94 CSNK1E (0.54) CSNK1ESIGMAR1KCNH2ADRA2BADRA2C
SCHEMBL18797750 0.94 CSNK1E (0.54) CSNK1ESIGMAR1KCNH2ADRA2BADRA2C
SCHEMBL5721853 0.94 CSNK1E (0.54) CSNK1ESIGMAR1KCNH2ADRA2BADRA2C
SCHEMBL10773798 0.94 CSNK1E (0.54) CSNK1ESIGMAR1KCNH2ADRA2BADRA2C
Water SCHEMBL23501523 0.92 CSNK1E (0.53) CSNK1ESIGMAR1KCNH2ADRA2BADRA2C
Hydrochloric Acid SCHEMBL7810565 0.92 CSNK1E (0.53) CSNK1ESIGMAR1KCNH2ADRA2BADRA2C

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-105658704-A Polymer composite, method of manufacture and use 伊斯曼柯达公司 2016-06-08 CN disclosed