Toluene

Toluene

SCHEMBL28499348

C=CC(=O)N1CCN(C(=O)C=C)CC1.Cc1ccccc1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
TET3 O43151 5/20 0.57
FBXL19 Q6PCT2 5/20 0.57
CXXC5 Q7LFL8 5/20 0.57
KDM2B Q8NHM5 5/20 0.57
CXXC4 Q9H2H0 5/20 0.57
KDM2A Q9Y2K7 5/20 0.57
TET1 Q8NFU7 3/20 0.57
ACHE P22303 3/20 0.50
TEAD3 Q99594 2/20 0.49
GPR183 P32249 1/20 0.49
TEAD1 P28347 1/20 0.49
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.46
AR P10275 1/20 0.44
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43

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 SCHEMBL28535816 0.93 KMT2A (0.51) KMT2ATET3FBXL19CXXC5KDM2B
Toluene SCHEMBL28325608 0.90 SIGMAR1 (0.50) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL22174993 0.80 AKR1C3 (0.59) ACHEMAPTPOLBALDH1A1HTT
SCHEMBL29792886 0.79 HPGD (0.61) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL8014611 0.79 ALDH1A1 (0.61) KMT2ATET3FBXL19CXXC5KDM2B
Toluene SCHEMBL1667838 0.79 LMNA (0.55) KMT2AACHEMAPTPOLBMEN1
Toluene SCHEMBL16040377 0.79 LMNA (0.55) KMT2AACHEMAPTPOLBMEN1
Toluene SCHEMBL27549807 0.77 LMNA (0.52) KMT2AACHEMAPTPOLBMEN1
Toluene SCHEMBL27697016 0.77 LMNA (0.52) KMT2AACHEMAPTPOLBMEN1
SCHEMBL12018334 0.77 KMT2A (0.53) KMT2ATET3FBXL19CXXC5KDM2B

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-112266467-A Polymer type phosphorus-nitrogen-containing flame retardant and preparation method thereof 欧阳杰 2021-01-26 CN disclosed
CN-112210131-A Flame-retardant rubber and preparation method thereof 马海社 2021-01-12 CN disclosed