SCHEMBL28337145

SCHEMBL28337145

CCOc1cc(C(=O)NCCN(C)C)c2ccccc2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
KDM4E B2RXH2 3/20 0.67
LMNA P02545 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
GAA P10253 2/20 0.67
ABCB11 O95342 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67
HPGD P15428 1/20 0.67
SCN1A P35498 1/20 0.67
OPRK1 P41145 1/20 0.67
KCNH2 Q12809 1/20 0.67
CACNA1C Q13936 1/20 0.67
SCN5A Q14524 1/20 0.67
GHSR Q92847 1/20 0.67
SCN2A Q99250 1/20 0.67
SCN3A Q9NY46 1/20 0.67
HTT P42858 2/20 0.66
ALOX15 P16050 1/20 0.66
MOK Q9UQ07 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
SCHEMBL28339271 0.90 ALDH1A1 (0.83) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL23722827 0.90 KDM4E (0.82) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL28338284 0.89 ALDH1A1 (0.78) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL28337133 0.88 ALDH1A1 (0.76) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL28338286 0.88 KDM4E (0.66) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL23722826 0.85 HTT (0.59) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL28338291 0.85 KDM4E (0.78) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL28339324 0.81 MEN1 (0.68) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL23722877 0.81 KDM4E (0.90) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL23722886 0.81 ALDH1A1 (0.81) ALDH1A1KDM4ELMNASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110590660-B Quinoline carboxamide compound, preparation method thereof and application of quinoline carboxamide compound in resisting enterovirus 71 武汉大学 2021-02-19 CN claimed
CN-110590660-A Quinoline carboxamide compound, preparation method thereof and application of quinoline carboxamide compound in resisting enterovirus 71 武汉大学 2019-12-20 CN claimed
CN-110590660-B Quinoline carboxamide compound, preparation method thereof and application of quinoline carboxamide compound in resisting enterovirus 71 武汉大学 2021-02-19 CN disclosed
CN-110590660-A Quinoline carboxamide compound, preparation method thereof and application of quinoline carboxamide compound in resisting enterovirus 71 武汉大学 2019-12-20 CN disclosed