Benzene

Benzene

SCHEMBL29130110

CCc1ccccc1C(N)(CC)CC.c1ccccc1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.36
SLC6A2 P23975 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MGLL Q99685 1/20 0.34
GAA P10253 1/20 0.33
IDO1 P14902 1/20 0.33
POLQ O75417 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL643737 0.98 GABRA1 (0.43) GABRA1GABRB2MAPTALDH1A1TP53
Hydrochloric Acid SCHEMBL77688 0.96 GABRA1 (0.41) GABRA1GABRB2MAPTALDH1A1MGLL
Water SCHEMBL187638 0.96 GABRA1 (0.41) GABRA1GABRB2MAPTALDH1A1MGLL
Hydrazine SCHEMBL10865940 0.96 GABRA1 (0.41) GABRA1GABRB2MAPTALDH1A1MGLL
Bromide SCHEMBL637596 0.96 GABRA1 (0.41) GABRA1GABRB2MAPTALDH1A1MGLL
Fluoride SCHEMBL1502835 0.96 GABRA1 (0.41) GABRA1GABRB2MAPTALDH1A1MGLL
Water SCHEMBL1973854 0.96 GABRA1 (0.41) GABRA1GABRB2MAPTALDH1A1MGLL
Iodide SCHEMBL1502860 0.96 GABRA1 (0.41) GABRA1GABRB2MAPTALDH1A1MGLL
Cyanide SCHEMBL4048234 0.94 GABRA1 (0.40) GABRA1GABRB2MAPTALDH1A1MGLL
Alcohol SCHEMBL28273112 0.90 GABRA1 (0.42) GABRA1GABRB2MAPTALDH1A1MGLL

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