Toluene

Toluene

SCHEMBL4909843

Cc1ccccc1.O=S(=O)(NCl)NCl

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
ALOX12 P18054 2/20 0.52
TSHR P16473 1/20 0.52
ACHE P22303 1/20 0.52
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
ALDH1A1 P00352 5/20 0.41
GAA P10253 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2D6 P10635 1/20 0.41
GFER P55789 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40

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 SCHEMBL4651397 0.84 ALOX12 (0.50) LMNAALOX12TSHRACHECA12
Toluene SCHEMBL4761069 0.84 LMNA (0.50) LMNAALOX12TSHRACHECA12
Toluene SCHEMBL7188331 0.82 LMNA (0.48) LMNAALOX12TSHRACHECA12
Toluene SCHEMBL6535761 0.82 LMNA (0.48) LMNAALOX12TSHRACHECA12
Toluene SCHEMBL53563 0.79 ALOX12 (0.65) LMNAALOX12TSHRACHECA12
Toluene SCHEMBL14976964 0.79 ALOX12 (0.65) LMNAALOX12TSHRACHECA12
Toluene SCHEMBL28783164 0.79 ALOX12 (0.65) LMNAALOX12TSHRACHECA12
Toluene SCHEMBL2874261 0.79 ALOX12 (0.65) LMNAALOX12TSHRACHECA12
Toluene SCHEMBL27583289 0.79 ACHE (0.73) LMNAALOX12TSHRACHECA12
Toluene SCHEMBL30489134 0.77 TSHR (0.61) LMNAALOX12TSHRACHECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255017-A1 Adhesive Agent For Sanitary Cleaning And Deodorization BUCK-CHEMIE GMBH (DE) 2008-10-16 US claimed
EP-0431002-B1 A DISINFECTING OR BLEACHING TISSUE PAL INT LTD (GB) 1994-03-02 EP claimed
US-20080255017-A1 Adhesive Agent For Sanitary Cleaning And Deodorization BUCK-CHEMIE GMBH (DE) 2008-10-16 US disclosed
US-4336270-A BACTERICIDES, FUNGICIDES CIBA-GEIGY CORPORATION (US) 1982-06-22 US disclosed
US-4160833-A ANIMAL FEED ADDITIVE AND MICROBIOCIDE CIBA-GEIGY CORPORATION (US) 1979-07-10 US disclosed
US-3991124-A FOR CONTROLLING MICROORGANISMS AND HELMINTHS CIBA-GEIGY CORPORATION (US) 1976-11-09 US disclosed
US-3956402-A MICROBIOCIDES CIBA-GEIGY CORPORATION (US) 1976-05-11 US disclosed