SCHEMBL28314980

SCHEMBL28314980

COc1nc(S(C)(=O)=O)nc(S(C)(=O)=O)c1OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HPGD P15428 3/20 0.31
NPSR1 Q6W5P4 3/20 0.31
KDM4E B2RXH2 2/20 0.31
TP53 P04637 2/20 0.31
KMT2A Q03164 2/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 2/20 0.30
MITF O75030 1/20 0.30
STAT3 P40763 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL27620860 0.82 SMN1; SMN2 (0.47) SMN1; SMN2LMNACA12CA2CA9
SCHEMBL28316196 0.75 LMNA (0.52) SMN1; SMN2LMNACA12CA1CA2
SCHEMBL12479725 0.75 LMNA (0.52) SMN1; SMN2LMNACA12CA1CA2
SCHEMBL15740308 0.74 SMN1; SMN2 (0.50) SMN1; SMN2LMNACA12CA1CA2
SCHEMBL9432745 0.74 SMN1; SMN2 (0.50) SMN1; SMN2LMNACA12CA1CA2
SCHEMBL7826827 0.74 SMN1; SMN2 (0.50) SMN1; SMN2LMNACA12CA1CA2
SCHEMBL25619858 0.69 SMN1; SMN2 (0.50) SMN1; SMN2LMNAHPGDNPSR1KDM4E
SCHEMBL4573738 0.69 LMNA (0.39) SMN1; SMN2LMNA
SCHEMBL29227708 0.69 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHPGDNPSR1KDM4E
SCHEMBL9432620 0.69 SMN1; SMN2 (0.47) SMN1; SMN2LMNACA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-209326137-U Cooling device is used in 4,6- of one kind dimethoxy-dimesyl pyrimidine preparation 江西聚合医药科技有限公司 2019-08-30 CN disclosed
CN-209326137-U Cooling device is used in 4,6- of one kind dimethoxy-dimesyl pyrimidine preparation 江西聚合医药科技有限公司 2019-08-30 CN disclosed
CN-209326137-U Cooling device is used in 4,6- of one kind dimethoxy-dimesyl pyrimidine preparation 江西聚合医药科技有限公司 2019-08-30 CN disclosed