Benzene

Benzene

SCHEMBL29130108

CC[N+](CC)(CC)Cc1ccccc1.c1ccccc1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TP53 P04637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CHRNA7 P36544 6/20 0.49
CHRNB4 P30926 5/20 0.49
CHRNA3 P32297 5/20 0.49
DNM1 Q05193 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 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
SCHEMBL81238 1.00 KDM4E (0.54) KDM4EALDH1A1TDP1TP53CYP1A2
Hydrogen Sulfide SCHEMBL5998579 1.00 KDM4E (0.54) KDM4EALDH1A1TDP1TP53CYP1A2
Bromide SCHEMBL653934 0.97 KDM4E (0.52) KDM4EALDH1A1TDP1TP53CYP1A2
SCHEMBL990633 0.97 KDM4E (0.52) KDM4EALDH1A1TDP1TP53CYP1A2
Hydrochloric Acid SCHEMBL7263495 0.97 KDM4E (0.52) KDM4EALDH1A1TDP1TP53CYP1A2
Water SCHEMBL1973851 0.97 KDM4E (0.52) KDM4EALDH1A1TDP1TP53CYP1A2
Bromide SCHEMBL117943 0.97 KDM4E (0.52) KDM4EALDH1A1TDP1TP53CYP1A2
Hydrochloric Acid SCHEMBL80718 0.97 KDM4E (0.58) KDM4EALDH1A1TDP1TP53CYP1A2
SCHEMBL11224727 0.97 KDM4E (0.52) KDM4EALDH1A1TDP1TP53CYP1A2
Iodide SCHEMBL239644 0.97 KDM4E (0.52) KDM4EALDH1A1TDP1TP53CYP1A2

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
CN-116964173-A Adhesive composition and method for manufacturing wood material and wood material 瑞士克罗诺泰克股份公司 2023-10-27 CN disclosed