Toluene

Toluene

SCHEMBL6858981

C(=C/c1nccnc1/C=C/c1ccccc1)\c1ccccc1.Cc1ccccc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.49
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 3/20 0.48
GLA P06280 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
FGF23 Q9GZV9 1/20 0.47
HPGD P15428 4/20 0.47
CYP2C19 P33261 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK1 P28482 1/20 0.45

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 SCHEMBL6858984 1.00 GRM4 (0.49) GRM4KDM4EALDH1A1MEN1KMT2A
SCHEMBL57903 0.89 MEN1 (0.56) GRM4KDM4EALDH1A1MEN1KMT2A
SCHEMBL57902 0.89 MEN1 (0.56) GRM4KDM4EALDH1A1MEN1KMT2A
SCHEMBL10719653 0.84 GRM4 (0.50) GRM4KDM4EALDH1A1MEN1KMT2A
Naphthalene SCHEMBL17599787 0.83 RELA (0.52) GRM4KDM4EALDH1A1MEN1KMT2A
Naphthalene SCHEMBL17599788 0.83 RELA (0.52) GRM4KDM4EALDH1A1MEN1KMT2A
(Z)-1,2-Diphenylethene SCHEMBL10630770 0.82 TSHR (0.65) GRM4KDM4EALDH1A1MEN1KMT2A
(Z)-1,2-Diphenylethene SCHEMBL10630776 0.82 TSHR (0.65) GRM4KDM4EALDH1A1MEN1KMT2A
SCHEMBL3318718 0.78 GRM4 (0.51) GRM4KDM4EALDH1A1MEN1KMT2A
SCHEMBL28241451 0.78 CHEK1 (0.48) KDM4EALDH1A1MEN1KMT2ANPC1

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
US-6833667-B2 Organic electroluminescence element and image forming apparatus or portable terminal unit using thereof MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2004-12-21 US disclosed
US-20030164679-A1 Organic electroluminescence element and image forming apparatus or portable terminal unit using thereof JOLED INC (JP) 2003-09-04 US disclosed