Benzene

Benzene

SCHEMBL8919088

O=[N+]([O-])OCC1CO1.c1ccccc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
ALDH1A1 P00352 6/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
GLA P06280 1/20 0.35
MGLL Q99685 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL27999107 0.94 ALDH1A1 (0.40) TDP1PRMT5WDR77ALDH1A1TSHR
SCHEMBL9191213 0.94
SCHEMBL169655 0.94
SCHEMBL9191856 0.94
Propane SCHEMBL6827223 0.88 SMN1; SMN2 (0.39) TDP1PRMT5WDR77ALDH1A1TSHR
Trimethylammonium SCHEMBL9503885 0.86 ALDH1A1 (0.38) TDP1PRMT5WDR77ALDH1A1TSHR
SCHEMBL9453864 0.80 ALDH1A1 (0.34) PRMT5WDR77ALDH1A1
SCHEMBL9191858 0.75 TSHR (0.42) TDP1PRMT5WDR77ALDH1A1TSHR
SCHEMBL169656 0.75 TSHR (0.42) TDP1PRMT5WDR77ALDH1A1TSHR
SCHEMBL9191220 0.75 TSHR (0.42) TDP1PRMT5WDR77ALDH1A1TSHR

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
US-5668244-A UNSATURATED EPOXIDES TOYO INK MANUFACTURING CO., LTD. (JP) 1997-09-16 US disclosed
EP-0687698-A2 Liquid polyester TOYO INK MANUFACTURING CO., LTD. (JP) 1995-12-20 EP disclosed