SCHEMBL21865619

SCHEMBL21865619

CCN(CCN(C)c1cc(Cl)ccc1C#N)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHCY P23526 2/20 0.40
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HCRTR1 O43613 5/20 0.35
HCRTR2 O43614 5/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
AAK1 Q2M2I8 2/20 0.33
TRPV4 Q9HBA0 1/20 0.33
IDH1 O75874 1/20 0.32
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32

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
SCHEMBL21865760 0.89 AHCY (0.39) AHCYALDH1A1LMNAMEN1HTT
SCHEMBL21865636 0.82 PSEN1 (0.45) AHCY
SCHEMBL21865620 0.81 AHCY (0.41) AHCYALDH1A1HCRTR1HCRTR2KDM4E
SCHEMBL29835255 0.80 ALDH1A1 (0.42) AHCYALDH1A1LMNAMEN1HTT
SCHEMBL21865672 0.80 ALDH1A1 (0.42) AHCYALDH1A1LMNAMEN1HTT
SCHEMBL28364266 0.76 ALDH1A1 (0.37) ALDH1A1LMNAMEN1HTTKMT2A
SCHEMBL21865383 0.75 AHCY (0.41) AHCYALDH1A1MEN1KMT2A
SCHEMBL21865614 0.75 PSEN1 (0.43) AHCY
SCHEMBL21865385 0.74 AHCY (0.40) AHCYALDH1A1AAK1
SCHEMBL21865632 0.74 PSEN1 (0.45) AHCY

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