SCHEMBL28490306

SCHEMBL28490306

CNc1ccccc1.O=S(=O)(Cl)c1cccc2cccnc12

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.51
MAPT P10636 3/20 0.51
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 2/20 0.51
APOBEC3G Q9HC16 2/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SLC40A1 Q9NP59 3/20 0.50
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL29663898 0.85 MAPK1 (0.68) GAAMAPTMAPK1KDM4EAPOBEC3G
SCHEMBL51046 0.85 MAPK1 (0.68) GAAMAPTMAPK1KDM4EAPOBEC3G
SCHEMBL8703196 0.84 MAPK1 (0.58) GAAMAPTMAPK1KDM4EAPOBEC3G
SCHEMBL8734368 0.78 ALDH1A1 (0.55) GAAMAPTMAPK1KDM4EAPOBEC3G
SCHEMBL6894312 0.75 GLO1 (0.61) GAAMAPTMAPK1KDM4EAPOBEC3G
SCHEMBL28476864 0.75 MAPK1 (0.54) GAAMAPTMAPK1KDM4EAPOBEC3G
SCHEMBL8590457 0.75 MAPK1 (0.48) GAAMAPTMAPK1KDM4EAPOBEC3G
SCHEMBL4178176 0.74 MAPT (0.62) GAAMAPTMAPK1KDM4EAPOBEC3G
SCHEMBL863061 0.72 MAPK1 (0.68) GAAMAPTMAPK1KDM4EAPOBEC3G
SCHEMBL13241507 0.71 MAPK1 (0.62) GAAMAPTMAPK1KDM4EAPOBEC3G

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
CN-107954906-B Synthetic method of aryl sulfonyl tertiary amine compound 西北师范大学 2020-10-16 CN disclosed