Benzene

Benzene

SCHEMBL6822148

COc1cc(NC(=O)CCC(NS(C)(=O)=O)C(=O)O)cc2ccccc12.c1ccccc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.47
MMP9 P14780 9/20 0.47
MMP8 P22894 2/20 0.47
MMP12 P39900 2/20 0.47
MMP14 P50281 2/20 0.47
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ANO1 Q5XXA6 1/20 0.39
ANO2 Q9NQ90 1/20 0.39
CYP1A2 P05177 1/20 0.39
FPR2 P25090 1/20 0.39

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
SCHEMBL6818486 0.88 MMP2 (0.44) MMP2MMP9MMP8MMP12MMP14
SCHEMBL7715008 0.82 LTA4H (0.55) ALDH1A1KDM4ENPSR1RXFP1NPC1
SCHEMBL6820161 0.78 LTA4H (0.55) ALDH1A1KDM4ENPSR1RXFP1NPC1
SCHEMBL6820163 0.78 LTA4H (0.55) ALDH1A1KDM4ENPSR1RXFP1NPC1
SCHEMBL2179155 0.78 KDM4E (0.51) MMP2ALDH1A1L3MBTL1KDM4ENPSR1
SCHEMBL6814135 0.76 NPC1 (0.44) NPC1RAB9AMEN1KMT2A
SCHEMBL9185732 0.74 ALDH1A1 (0.52) ALDH1A1L3MBTL1KDM4ENPSR1RXFP1
SCHEMBL14544643 0.74 MAPT (0.48) ALDH1A1L3MBTL1KDM4ENPSR1RXFP1
SCHEMBL14521459 0.73 MAPT (0.46) ALDH1A1L3MBTL1KDM4ENPSR1RXFP1
SCHEMBL6055173 0.70 ATM (0.63) KDM4ENPC1RAB9AMEN1KMT2A

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
WO-2004020402-A1 SULPHONYLAMINO DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-03-11 WO disclosed