SCHEMBL21865637

SCHEMBL21865637

CCN(CCN(C(=O)OC(C)(C)C)C(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.38
CA1 P00915 3/20 0.35
CA12 O43570 2/20 0.35
CA7 P43166 2/20 0.35
ACKR3 P25106 2/20 0.33
NAMPT P43490 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
CA2 P00918 2/20 0.32
CTSK P43235 1/20 0.32
SSTR4 P31391 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HSD17B10 Q99714 1/20 0.30
HDAC3 O15379 1/20 0.30
NCOR2 Q9Y618 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
SCHEMBL28362744 0.84 CHRM2 (0.35) CA14CA1CA12CA7HDAC1
SCHEMBL18400312 0.83 CA14 (0.36) CA14CA1CA12CA7HDAC1
SCHEMBL3469119 0.82 CA14 (0.46) CA14CA1CA12CA7NAMPT
SCHEMBL16125928 0.81 CA14 (0.39) CA14CA1CA12CA7NAMPT
SCHEMBL7737226 0.80 CA14 (0.36) CA14CA1CA12CA7NAMPT
SCHEMBL10267170 0.80 CA12 (0.43) CA14CA1CA12CA7NAMPT
SCHEMBL255184 0.79 CA14 (0.38) CA14CA1CA12CA7NAMPT
SCHEMBL1962792 0.79 MEN1 (0.45) CA14CA1CA12CA7HDAC1
SCHEMBL18619385 0.79 CA14 (0.40) CA14CA1CA12CA7HDAC1
SCHEMBL4164699 0.78 CA14 (0.41) CA14CA1CA12CA7NAMPT

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
WO-2020052509-A1 SULFONAMIDE COMPOUND SERVING AS SODIUM CHANNEL BLOCKER AND USES THEREOF 成都康弘药业集团股份有限公司 2020-03-19 WO disclosed