SCHEMBL28802466

SCHEMBL28802466

Cc1ccc(S(=O)(=O)NNC2C=Cc3c(N(c4ccccc4)c4ccccc4)ccc4cccc2c34)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 3/20 0.37
GFER P55789 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX12 P18054 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
ALPL P05186 1/20 0.34
KMT2A Q03164 3/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL28013012 0.73
SCHEMBL28860735 0.69 KDM4E (0.30) KDM4EKMT2A
SCHEMBL8927497 0.62 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ECYP3A4CYP2D6
SCHEMBL4021554 0.61 ALDH1A1 (0.72) ALDH1A1MAPTKDM4EGFERCYP3A4
SCHEMBL6082132 0.60 CYP1A2 (0.43) ALDH1A1CYP3A4CYP2C19HPGDTDP1
SCHEMBL1753824 0.60 CYP2C19 (0.37) ALDH1A1MAPTKDM4ECYP3A4CYP2D6
SCHEMBL22746698 0.60 CYP2C19 (0.37) ALDH1A1MAPTKDM4ECYP3A4CYP2D6
SCHEMBL29444797 0.60 CYP2C19 (0.37) ALDH1A1MAPTKDM4ECYP3A4CYP2D6
SCHEMBL10066733 0.60 CYP2C19 (0.37) ALDH1A1MAPTKDM4ECYP3A4CYP2D6
SCHEMBL13998293 0.60 FFAR4 (0.43) ALDH1A1MAPTKDM4EGFERCYP3A4

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
CN-102838874-B Asphalt modifier, modified asphalt and asphalt mixture UNIV SHANDONG JIANZHU 2013-05-08 CN disclosed
CN-102838874-A Asphalt modifier, modified asphalt and asphalt mixture UNIV SHANDONG JIANZHU 2012-12-26 CN disclosed