Benzene

Benzene

SCHEMBL8960664

NCCOS(=O)(=O)O.c1ccccc1

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
SLC6A6 P31641 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
APP P05067 1/20 0.33
IDO1 P14902 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
TRPM2 O94759 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL222524 0.92
SCHEMBL9161797 0.90
Alcohol SCHEMBL28086466 0.81 CA1 (0.34) LMNASLC6A6CYP2C19BLMFNTA
Trimethylammonium SCHEMBL27903084 0.81 LMNA (0.33) LMNASLC6A6CYP2C19BLMFNTA
SCHEMBL18357528 0.78 CXCL10 (0.35) LMNASLC6A6CYP2C19BLMFNTA
SCHEMBL18357906 0.78 CXCL10 (0.35) LMNASLC6A6CYP2C19BLMFNTA
SCHEMBL18357988 0.78 CXCL10 (0.35) LMNASLC6A6CYP2C19BLMFNTA
SCHEMBL5424137 0.77
SCHEMBL10782790 0.75 CA1 (0.46) LMNABLMFNTAFNTBCA2
Benzene SCHEMBL28223635 0.75 TSHR (0.52) LMNATAAR1CA2CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0693536-A1 Azo dyes with a chlorotriazine group BAYER AG (DE) 1996-01-24 EP disclosed
US-4841049-A FOR CELLULOSIC FIBERS; BRIGHT BLUE COLORS; WET- AND LIGHTFAST CIBA-GEIGY CORPORATION (US) 1989-06-20 US disclosed