Benzene

Benzene

SCHEMBL28064387

O=[N+]([O-])c1ccccc1Cl.c1ccccc1

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.60
TDP1 Q9NUW8 5/20 0.54
ALDH1A1 P00352 5/20 0.54
MAPK1 P28482 3/20 0.54
TSHR P16473 2/20 0.54
VCAM1 P19320 2/20 0.53
HSD17B10 Q99714 1/20 0.52
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
CASP7 P55210 1/20 0.48
GPR35 Q9HC97 1/20 0.48

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
SCHEMBL29962795 0.98 HPGD (0.62) HPGDTDP1ALDH1A1MAPK1TSHR
SCHEMBL27873887 0.98 HPGD (0.62) HPGDTDP1ALDH1A1MAPK1TSHR
SCHEMBL78743 0.98 HPGD (0.62) HPGDTDP1ALDH1A1MAPK1TSHR
Fluoride SCHEMBL3957041 0.95 HPGD (0.60) HPGDTDP1ALDH1A1MAPK1TSHR
Fluoride SCHEMBL3957036 0.95 HPGD (0.60) HPGDTDP1ALDH1A1MAPK1TSHR
1,2-Dichlorobenzene SCHEMBL11313909 0.95 HPGD (0.60) HPGDTDP1ALDH1A1MAPK1TSHR
Selenium SCHEMBL10603347 0.95 HPGD (0.60) HPGDTDP1ALDH1A1MAPK1TSHR
SCHEMBL14855732 0.95 HPGD (0.60) HPGDTDP1ALDH1A1MAPK1TSHR
SCHEMBL14855734 0.95 HPGD (0.60) HPGDTDP1ALDH1A1MAPK1TSHR
Hydrochloric Acid SCHEMBL28518250 0.95 HPGD (0.60) HPGDTDP1ALDH1A1MAPK1TSHR

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-105435808-A Carbon black noble metal catalyst preparation method CHINA PETROLEUM & CHEM CORP 2016-03-30 CN disclosed