Toluene

Toluene

SCHEMBL3854005

Cc1ccccc1.Cc1ccncc1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.65
ACHE P22303 2/20 0.65
TSHR P16473 1/20 0.65
ALOX12 P18054 1/20 0.65
NOTUM Q6P988 1/20 0.52
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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 SCHEMBL11558424 1.00 LMNA (0.65) LMNAACHETSHRALOX12NOTUM
Benzene SCHEMBL28980473 0.94 LMNA (0.53) LMNAACHETSHRALOX12NOTUM
Toluene SCHEMBL28219498 0.91 ACHE (0.69) LMNAACHETSHRALOX12NOTUM
Biphenyl SCHEMBL27604300 0.89 NOTUM (0.70) LMNAACHETSHRALOX12NOTUM
Toluene SCHEMBL434901 0.88 ACHE (0.65) LMNAACHETSHRALOX12NOTUM
Pyridine SCHEMBL5590769 0.88 TSHR (0.53) LMNAACHETSHRALOX12NOTUM
SCHEMBL1310594 0.87 LMNA (0.50) LMNAACHETSHRALOX12KMT2A
SCHEMBL12062 0.87
SCHEMBL8486973 0.87 LMNA (0.50) LMNAACHETSHRALOX12KMT2A
SCHEMBL19443810 0.86 TSHR (0.61) LMNAACHETSHRALOX12NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009073246-A1 METHOD FOR THE SYNTHESIS OF IRIDIUM (III) COMPLEXES WITH STERICALLY DEMANDING LIGANDS UNIVERSAL DISPLAY CORPORATION (US) 2009-06-11 WO disclosed
WO-2009073245-A1 LIGHT-EMITTING ORGANOMETALLIC COMPLEXES UNIVERSAL DISPLAY CORPORATION (US) 2009-06-11 WO disclosed
US-4151201-A CONDENSATION OF PHENOLS WITH FORMALDEHYDE WITH A STANNOUS AND/OR STANNIC CHLORIDE CATALYST AND AN APROTIC BINDER MONTEDISON S.P.A. (IT) 1979-04-24 US disclosed
US-4006149-A COBALT CONTAINING STUDIENGESELLSCHAFT KOHLE M.B.H. (DT) 1977-02-01 US disclosed