Toluene

Toluene

SCHEMBL28297152

Cc1ccccc1.N=Cc1ccccc1

nearest known ligand 0.58

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.58
▸ TSHR P16473 2/20 0.58
▸ ALOX12 P18054 1/20 0.58
▸ ACHE P22303 1/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ CYP1B1 Q16678 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAOB P27338 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL113275 0.86 — —
SCHEMBL497857 0.86 — —
SCHEMBL28577197 0.83 — —
SCHEMBL879127 0.80 — —
(Z)-1,2-Diphenylethene SCHEMBL10630776 0.78 TSHR (0.65) LMNATSHRALOX12ACHECYP1B1
Toluene SCHEMBL270278 0.78 ACHE (0.65) LMNATSHRALOX12ACHETDP1
(Z)-1,2-Diphenylethene SCHEMBL10630770 0.78 TSHR (0.65) LMNATSHRALOX12ACHECYP1B1
SCHEMBL2734084 0.77 — —
Toluene SCHEMBL10989418 0.76 — —
Toluene SCHEMBL10976206 0.76 ACHE (1.00) LMNATSHRALOX12ACHETDP1

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
CN-109894136-B Catalyst, preparation method and application 兰州大学 2022-10-04 — — CN claimed
CN-117586469-A Donor-acceptor type covalent organic framework material and preparation method and application thereof 山东师范大学 2024-02-23 — — CN disclosed
CN-117225436-A CdS/Bi/Ti 3 C 2 T X Photocatalyst, preparation method and application thereof 华南理工大学 2023-12-15 — — CN disclosed
CN-117143304-A Difunctional porphyrin-based covalent organic framework material and preparation method and application thereof 中南大学 2023-12-01 — — CN disclosed
CN-109879265-B Mesoporous nitrogen-doped carbon material and preparation method and application thereof 兰州大学 2023-01-10 — — CN disclosed
CN-109894136-B Catalyst, preparation method and application 兰州大学 2022-10-04 — — CN disclosed
CN-109894136-A A kind of catalyst and preparation method and purposes 兰州大学 2019-06-18 — — CN disclosed
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