Benzene

Benzene

SCHEMBL22658153

CN(C)c1ccccc1.CNC.c1ccccc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
TSHR P16473 4/20 0.56
HSD17B10 Q99714 2/20 0.56
ALOX15 P16050 2/20 0.56
MAPK1 P28482 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
RELA Q04206 1/20 0.52
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 3/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 1/20 0.48
CYP3A4 P08684 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 3/20 0.46
CHKA P35790 3/20 0.45
GFER P55789 1/20 0.45
TP53 P04637 1/20 0.43

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
SCHEMBL10557768 0.91 ALDH1A1 (0.67) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL21208167 0.91 ALDH1A1 (0.67) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL16187039 0.91
SCHEMBL8277 0.91
SCHEMBL7879117 0.91
SCHEMBL17046164 0.88 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10ALOX15MAPK1
Trimethylammonium SCHEMBL2531877 0.88 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL7983815 0.88 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10ALOX15MAPK1
Bromide SCHEMBL252099 0.88 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10ALOX15MAPK1
Water SCHEMBL6758084 0.88 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10ALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3970225-B1 METHOD FOR EXTINGUISHING AN ELECTROCHEMICAL GENERATOR IN THE EVENT OF OF THERMAL RUNAWAY COMMISSARIAT ENERGIE ATOMIQUE (FR) 2023-09-13 EP disclosed
WO-2023067275-A1 METHOD FOR OPENING AN ELECTROCHEMICAL GENERATOR COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2023-04-27 WO disclosed
US-20220161076-A1 METHOD FOR EXTINGUISHING AN ELECTROCHEMICAL GENERATOR IN THE EVENT OF A THERMAL RUNAWAY COGNOS THERAPEUTICS, INC. 2022-05-26 US disclosed
WO-2020229479-A1 METHOD FOR EXTINGUISHING AN ELECTROCHEMICAL GENERATOR IN THE EVENT OF OF THERMAL RUNAWAY COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2020-11-19 WO disclosed