SCHEMBL28525464

SCHEMBL28525464

C=C[C](NC(=O)OC(C)(C)C)C(C)CC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA7 P43166 2/20 0.38
CA2 P00918 1/20 0.38
CTSK P43235 11/20 0.37
CTSS P25774 3/20 0.37
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
APLNR P35414 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
SCHEMBL9220407 0.78 CTSK (0.44) CA1CA7CA2CTSKCTSS
SCHEMBL9220413 0.78 CTSK (0.44) CA1CA7CA2CTSKCTSS
SCHEMBL28519064 0.75 CA1 (0.41) CA1CA7CA2CTSKCTSS
SCHEMBL5170449 0.72 CTSK (0.40) CA1CA7CA2CTSKCTSS
SCHEMBL2926580 0.71 TSHR (0.37) CA1CA7CA2CTSKMEN1
SCHEMBL18814125 0.70 CA1 (0.35) CA1CA7CA2CTSKCTSS
SCHEMBL15597368 0.70 NFKB1 (0.39) CA1CA7CA2CTSKSMN1; SMN2
SCHEMBL21323971 0.70 TDP1 (0.35) CA1CA7CA2CTSKSMN1; SMN2
SCHEMBL20415389 0.70 CA1 (0.40) CA1CA7CA2CTSKCTSS
SCHEMBL5168501 0.69 CA1 (0.39) CA1CA7CA2CTSKCTSS

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-107735400-B Cyclic sulfamoyl arylamide derivatives and their use as medicaments for the treatment of hepatitis B 爱尔兰詹森科学公司 2021-02-02 CN disclosed