SCHEMBL21865760

SCHEMBL21865760

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 1/20 0.39
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
FNTA P49354 4/20 0.33
FNTB P49356 4/20 0.33
AAK1 Q2M2I8 3/20 0.33
IDH1 O75874 1/20 0.32
USP7 Q93009 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 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
SCHEMBL21865619 0.89 AHCY (0.40) AHCYALDH1A1LMNAMEN1HTT
SCHEMBL21865383 0.84 AHCY (0.41) AHCYALDH1A1MEN1KMT2ANPC1
SCHEMBL21865632 0.83 PSEN1 (0.45) AHCY
SCHEMBL21865385 0.83 AHCY (0.40) AHCYALDH1A1AAK1NPC1HPGD
SCHEMBL28364266 0.83 ALDH1A1 (0.37) ALDH1A1LMNAMEN1HTTKMT2A
SCHEMBL21865761 0.82 AHCY (0.40) AHCYALDH1A1HTTNPC1HPGD
SCHEMBL21865570 0.82 AHCY (0.40) AHCYALDH1A1MEN1HTTKMT2A
SCHEMBL21865558 0.80 ABL1 (0.40) AHCYALDH1A1MEN1HTTKMT2A
SCHEMBL21865672 0.80 ALDH1A1 (0.42) AHCYALDH1A1LMNAMEN1HTT
SCHEMBL29835255 0.80 ALDH1A1 (0.42) AHCYALDH1A1LMNAMEN1HTT

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