Toluene

Toluene

SCHEMBL9706205

Cc1ccccc1.O=C(N=S(=O)=O)c1ccc(S)cc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
AKR1C3 P42330 1/20 0.38
LMNA P02545 3/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
ACHE P22303 1/20 0.37
POLB P06746 2/20 0.37
CYP1B1 Q16678 1/20 0.36
VCP P55072 1/20 0.36
SRD5A2 P31213 1/20 0.35
HPGD P15428 1/20 0.35
CYP2D6 P10635 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL2944441 0.82 ALDH1A1 (0.52) CES2CES1NPC1RAB9AMEN1
SCHEMBL1115274 0.78 CES1 (0.48) CES2CES1NPC1RAB9AMEN1
Benzene SCHEMBL28276362 0.78 CES1 (0.48) CES2CES1NPC1RAB9AMEN1
Toluene SCHEMBL22497424 0.77 ALDH1A1 (0.58) CES2CES1NPC1RAB9AMEN1
Toluene SCHEMBL10710211 0.73 ACHE (0.69) CES2CES1NPC1RAB9AMEN1
Toluene SCHEMBL28207707 0.71 ACHE (0.65) CES2CES1NPC1RAB9AMEN1
Toluene SCHEMBL10802247 0.71 ACHE (0.65) CES2CES1NPC1RAB9AMEN1
Bromoform SCHEMBL27595221 0.71 CES1 (0.41) CES2CES1NPC1RAB9AMEN1
Toluene SCHEMBL8599249 0.71 LMNA (0.46) CES2CES1NPC1RAB9AMEN1
Toluene SCHEMBL28569928 0.69 LMNA (0.55) CES2CES1NPC1RAB9AMEN1

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
US-5149614-A DEVELOPER COMPOSITIONS FOR PS PLATES AND METHOD FOR DEVELOPING THE SAME WHEREIN THE DEVELOPER COMPOSITION CONTAINS A SURFACTANT HAVING AN ARYL GROUP, AN OXYALKYLENE GROUP AND A SULFATE ESTER OR SULFONIC ACID GROUP FUJI PHOTO FILM CO., LTD. (JP) 1992-09-22 US disclosed