Benzene

Benzene

SCHEMBL28397474

O=C(O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1.c1ccccc1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.65
KMT2A Q03164 1/20 0.55
MMP2 P08253 2/20 0.54
MMP14 P50281 2/20 0.54
ADAMTS4 O75173 1/20 0.54
MMP13 P45452 1/20 0.54
ADAMTS5 Q9UNA0 1/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 6/20 0.52
TBXA2R P21731 1/20 0.51
MAPT P10636 1/20 0.51
ATM Q13315 1/20 0.51
MMP1 P03956 1/20 0.51
MMP9 P14780 1/20 0.51
ADAM17 P78536 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL2945763 0.81 ALDH1A1 (0.69) KMT2AALDH1A1MAPTKDM4EGAA
SCHEMBL7669940 0.81 MMP2 (0.55) MMP2MMP14ADAMTS4MMP13ADAMTS5
SCHEMBL1200801 0.80 ALDH1A1 (0.75) MMP2MMP14ADAMTS4MMP13ADAMTS5
SCHEMBL26212911 0.79 L3MBTL1 (0.56) L3MBTL1MMP2MMP14ALDH1A1MMP1
SCHEMBL3684870 0.79 CA12 (0.58) L3MBTL1MMP2MMP14LMNAALDH1A1
SCHEMBL4519542 0.79 HTT (0.71) L3MBTL1KMT2AMMP2MMP14LMNA
Trifluoroacetic Acid SCHEMBL8444765 0.79 MMP9 (0.64) MMP2MMP14ADAMTS4MMP13LMNA
SCHEMBL2947860 0.79 LMNA (0.82) KMT2ALMNAALDH1A1TBXA2RMAPT
SCHEMBL4517737 0.78 ALDH1A1 (0.68) L3MBTL1LMNAALDH1A1CTDSP1KDM4E
SCHEMBL3286523 0.77 MMP9 (0.75) MMP2MMP14ADAMTS4MMP13LMNA

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-107903185-B Preparation and application of novel eEF2K inhibitor 四川大学 2020-05-26 CN disclosed