SCHEMBL28233992

SCHEMBL28233992

NS(=O)(=O)N1CCC1.NS(=O)(=O)N1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.67
TSHR P16473 4/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA12 O43570 2/20 0.56
CA7 P43166 2/20 0.56
CA14 Q9ULX7 1/20 0.56
POLB P06746 2/20 0.50
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL23592712 0.93 SMN1; SMN2 (0.58) SMN1; SMN2TSHRL3MBTL1CA1CA2
SCHEMBL490315 0.92 CA12 (0.65) SMN1; SMN2TSHRL3MBTL1CA1CA2
Hydrochloric Acid SCHEMBL29968774 0.90 CA12 (0.62) SMN1; SMN2TSHRL3MBTL1CA1CA2
SCHEMBL1486989 0.84
Hydrochloric Acid SCHEMBL27653839 0.81
Ammonia Solution, Strong SCHEMBL28193457 0.81
SCHEMBL2723676 0.78
SCHEMBL391423 0.78
SCHEMBL5473926 0.77
SCHEMBL5170524 0.77 TSHR (0.67) SMN1; SMN2TSHRL3MBTL1CA1CA2

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-104718188-B The benzamides of N- substitutions and its purposes in treating pain 基因泰克公司 2018-08-21 CN disclosed