Benzene

Benzene

SCHEMBL28075802

O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2cc(N=C=S)ccc21.c1ccccc1

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 10/20 0.60
MAPT P10636 4/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
HPGD P15428 2/20 0.60
HTT P42858 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
CYP2C19 P33261 1/20 0.60
RECQL P46063 1/20 0.60
BLM P54132 1/20 0.60
SMAD3 P84022 1/20 0.60
PRMT1 Q99873 1/20 0.60
ACE2 Q9BYF1 1/20 0.60
ALDH1A1 P00352 3/20 0.46
ALOX12 P18054 2/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP2C9 P11712 1/20 0.46
BRCA1 P38398 1/20 0.46
LMNA P02545 3/20 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
SCHEMBL29567328 0.99 FTO (0.62) FTOMAPTMEN1KMT2AHPGD
SCHEMBL160107 0.99 FTO (0.62) FTOMAPTMEN1KMT2AHPGD
SCHEMBL28250997 0.97 FTO (0.62) FTOMAPTMEN1KMT2AHPGD
SCHEMBL29449527 0.97 FTO (0.62) FTOMAPTMEN1KMT2AHPGD
Isothiocyanate SCHEMBL28223712 0.96 FTO (0.58) FTOMAPTMEN1KMT2AHPGD
SCHEMBL29838684 0.92 FTO (0.64) FTOMAPTMEN1KMT2AHPGD
SCHEMBL29354242 0.92 FTO (0.64) FTOMAPTMEN1KMT2AHPGD
SCHEMBL71426 0.92 FTO (0.64) FTOMAPTMEN1KMT2AHPGD
SCHEMBL30103772 0.92 FTO (0.64) FTOMAPTMEN1KMT2AHPGD
Dimethylformamide SCHEMBL28075081 0.92 FTO (0.54) FTOMAPTMEN1KMT2AHPGD

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-103068378-B Zanamivir phosphonate congeners with anti-influenza activity and preparation method thereof 中央研究院 2016-07-06 CN disclosed