Toluene

Toluene

SCHEMBL14976648

Cc1ccccc1.O=S(=O)(Cl)c1ccc2ccccc2c1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 2/20 0.50
PKM P14618 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KAT6A Q92794 2/20 0.48
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HSD17B10 Q99714 1/20 0.47
PKLR P30613 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2A6 P11509 1/20 0.45
GAA P10253 1/20 0.44
HSD11B1 P28845 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL29391838 0.89 LMNA (0.63) LMNAL3MBTL1PKMSMN1; SMN2ALDH1A1
SCHEMBL25642 0.89 LMNA (0.63) LMNAL3MBTL1PKMSMN1; SMN2ALDH1A1
SCHEMBL27629181 0.87 LMNA (0.61) LMNAL3MBTL1PKMSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL7566123 0.87 LMNA (0.61) LMNAL3MBTL1PKMSMN1; SMN2ALDH1A1
SCHEMBL7523945 0.83 L3MBTL1 (0.46) LMNAL3MBTL1HTTPKMSMN1; SMN2
SCHEMBL1149006 0.83 LMNA (0.55) LMNAL3MBTL1PKMSMN1; SMN2ALDH1A1
SCHEMBL7013575 0.81 CYP2A6 (0.54) LMNAL3MBTL1HTTPKMSMN1; SMN2
SCHEMBL28218179 0.81 LMNA (0.50) LMNAL3MBTL1PKMSMN1; SMN2KAT6A
Toluene SCHEMBL1393755 0.81 ALDH1A1 (0.65) LMNAL3MBTL1HTTSMN1; SMN2ALDH1A1
SCHEMBL2263563 0.80 LMNA (0.48) LMNAL3MBTL1SMN1; SMN2ALDH1A1TDP1

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
WO-2013076590-A1 BENZOTHIAZINE COMPOUNDS AS H3 RECEPTOR LIGANDS OXYGEN HEALTHCARE RESEARCH PVT. LTD (IN) 2013-05-30 WO disclosed