Benzene

Benzene

SCHEMBL28080205

NC(=O)c1ccc(NC(=O)C=Cc2ccccc2)cc1.c1ccccc1

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.73
MMP1 P03956 7/20 0.73
MMP2 P08253 7/20 0.73
MMP9 P14780 7/20 0.73
MAOB P27338 2/20 0.73
MAOA P21397 1/20 0.73
DEGS1 O15121 1/20 0.69
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
KDM4E B2RXH2 1/20 0.61
TOP2A P11388 1/20 0.61
SAE1 Q9UBE0 1/20 0.61
UBA2 Q9UBT2 1/20 0.61
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58

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
SCHEMBL11590995 0.88 EGFR (0.92) EGFRMMP1MMP2MMP9MAOB
SCHEMBL2848898 0.87 EGFR (0.77) EGFRMMP1MMP2MMP9MAOB
SCHEMBL6013376 0.87 EGFR (0.77) EGFRMMP1MMP2MMP9MAOB
SCHEMBL11947176 0.86 EGFR (0.75) EGFRMMP1MMP2MMP9MAOB
N-Phenylcinnamamide SCHEMBL2682029 0.85 MMP1 (1.00) EGFRMMP1MMP2MMP9MAOB
N-Phenylcinnamamide SCHEMBL4205896 0.85 MMP1 (1.00) EGFRMMP1MMP2MMP9MAOB
N-Phenylcinnamamide SCHEMBL3667414 0.85 MMP1 (1.00) EGFRMMP1MMP2MMP9MAOB
SCHEMBL31501465 0.84 EGFR (0.77) EGFRMMP1MMP2MMP9MAOB
SCHEMBL9988799 0.82 MMP1 (1.00) EGFRMMP1MMP2MMP9MAOB
SCHEMBL18993398 0.82 EGFR (0.80) EGFRMMP1MMP2MMP9MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106103569-B nitrile copolymer rubber composition 日本瑞翁株式会社 2017-12-05 CN disclosed
CN-106103569-A Nitrile copolymer rubber composition 日本瑞翁株式会社 2016-11-09 CN disclosed
CN-104854182-B nitrile copolymer rubber composition 日本瑞翁株式会社 2016-08-24 CN disclosed