Benzene

Benzene

SCHEMBL6818809

CS(=O)(=O)NC(Cc1cc(F)cc(F)c1)C(=O)NC(c1ccccc1)c1ccccc1.c1ccccc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.42
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
CTSL P07711 2/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSB P07858 2/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CTSS P25774 1/20 0.38
PSMB5 P28074 1/20 0.38
TSHR P16473 1/20 0.37
XIAP P98170 1/20 0.37

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
SCHEMBL6818217 0.86 ITGB3 (0.41) EEF2KALDH1A1CTSLMMP9MMP8
SCHEMBL6819764 0.84 MMP2 (0.58) EEF2KCTSLMMP9MMP8MMP14
Benzene SCHEMBL6819879 0.81 ITGB3 (0.47) ALDH1A1CYP3A4CYP2C19MMP9
SCHEMBL5966799 0.75 CTSL (0.44) ALDH1A1CYP3A4CYP2C19CTSLCTSB
SCHEMBL9012465 0.74 MME (0.60) MMP9
SCHEMBL6818852 0.73 ITGB3 (0.39) EEF2KCTSLMMP9MMP8MMP14
SCHEMBL6818849 0.73 ITGB3 (0.39) EEF2KCTSLMMP9MMP8MMP14
SCHEMBL13956900 0.71 MMP1 (0.52) MMP9MMP8
SCHEMBL9658885 0.70 KMT2A (0.53) ALDH1A1CYP3A4CYP2C19MMP9KMT2A
SCHEMBL698061 0.69 MMP2 (0.63) ALDH1A1MMP9

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