Benzene

Benzene

SCHEMBL28079086

CCCc1cccc(C=O)c1C=O.c1ccccc1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 2/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
ERN1 O75460 3/20 0.34
DAO P14920 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
TLR6 Q9Y2C9 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HPGD P15428 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
SCHEMBL27956617 0.98 MEN1 (0.39) MEN1KMT2ATDP1LMNATHRB
SCHEMBL10351355 0.86 GABRA1 (0.39) MEN1KMT2ATDP1LMNAALDH1A1
SCHEMBL30600442 0.84 LIPG (0.49) THRBBIDBCL2L1MCL1BAK1
SCHEMBL547665 0.80 LMNA (0.50) MEN1KMT2ATDP1LMNATHRB
SCHEMBL8981378 0.79 ALDH1A1 (0.42) MEN1KMT2ATDP1LMNATHRB
SCHEMBL21517834 0.79 MEN1 (0.39) MEN1KMT2ATDP1LMNATHRB
SCHEMBL2834598 0.79 MEN1 (0.39) MEN1KMT2ATDP1LMNATHRB
Fluoride SCHEMBL14237094 0.79 LMNA (0.48) MEN1KMT2ATDP1LMNATHRB
SCHEMBL15789481 0.78 KMT2A (0.46) MEN1KMT2ATDP1LMNATHRB
SCHEMBL29953931 0.78 ERN1 (0.52) MEN1KMT2ATDP1LMNATHRB

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-105764892-A Method for purifying compound or resin 三菱瓦斯化学株式会社 2016-07-13 CN disclosed