Toluene

Toluene

SCHEMBL10583247

Cc1ccccc1.O=S(=O)=Nc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.57
▸ ALDH1A1 P00352 6/20 0.52
▸ HSD17B10 Q99714 4/20 0.52
▸ TSHR P16473 4/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.47
▸ GAA P10253 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ L3MBTL1 Q9Y468 4/20 0.45
▸ ALOX12 P18054 4/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ NPC1 O15118 1/20 0.42

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 SCHEMBL10442875 0.83 LMNA (0.50) HPGDALDH1A1TSHRTDP1CYP3A4
SCHEMBL8990517 0.77 TDP1 (0.42) HPGDALDH1A1TDP1CYP3A4GAA
Diphenylamine SCHEMBL23466803 0.77 HPGD (0.84) HPGDALDH1A1HSD17B10TSHRTDP1
Sulfurous Acid SCHEMBL31267145 0.76 HPGD (0.75) HPGDALDH1A1HSD17B10TSHRTDP1
Hydrochloric Acid SCHEMBL27570550 0.75 TDP1 (0.40) HPGDALDH1A1TDP1CYP3A4GAA
Ammonia Solution, Strong SCHEMBL28131657 0.75 TDP1 (0.40) HPGDALDH1A1TDP1CYP3A4GAA
SCHEMBL28031495 0.75 TDP1 (0.40) HPGDALDH1A1TDP1CYP3A4GAA
SCHEMBL9461706 0.74 HPGD (1.00) HPGDALDH1A1HSD17B10TSHRTDP1
SCHEMBL24137168 0.74 HPGD (1.00) HPGDALDH1A1HSD17B10TSHRTDP1
SCHEMBL172875 0.74 HPGD (1.00) HPGDALDH1A1HSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0309284-A2 Stabilized carbon black loaded polyolefins UNIROYAL CHEMICAL COMPANY, Inc. (US) 1989-03-29 — — EP disclosed
US-4067836-A ETHYLENE POLYMER, AUTO-OXIDATIVE COMPOUND, METAL SALTS UNION CARBIDE CORPORATION (US) 1978-01-10 — — US disclosed
US-3935141-A METAL SALT, ANTIOXIDANT UNION CARBIDE CORPORATION (US) 1976-01-27 — — US disclosed
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