SCHEMBL21865673

SCHEMBL21865673

CCN(CCNc1cc(Cl)ccc1CN)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 1/20 0.40
ALDH1A1 P00352 5/20 0.37
HTT P42858 4/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IDO1 P14902 2/20 0.36
MGLL Q99685 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
RAD52 P43351 1/20 0.35
HSD17B10 Q99714 2/20 0.34
HPGD P15428 2/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
XBP1 P17861 1/20 0.34
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 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
SCHEMBL21865387 0.83 ALDH1A1 (0.46) AHCYALDH1A1HTTMAPTL3MBTL1
SCHEMBL21865562 0.83 ALDH1A1 (0.41) AHCYALDH1A1HTTMAPTL3MBTL1
SCHEMBL21865672 0.82 ALDH1A1 (0.42) AHCYALDH1A1HTTMAPTL3MBTL1
SCHEMBL29835255 0.82 ALDH1A1 (0.42) AHCYALDH1A1HTTMAPTL3MBTL1
SCHEMBL29835216 0.81 MAPT (0.50) AHCYALDH1A1HTTMAPTL3MBTL1
SCHEMBL21865761 0.80 AHCY (0.40) AHCYALDH1A1HTTMAPTL3MBTL1
SCHEMBL21865620 0.79 AHCY (0.41) AHCYALDH1A1MAPTL3MBTL1IDO1
SCHEMBL17930966 0.76 IDO1 (0.46) ALDH1A1HTTMAPTIDO1NPSR1
SCHEMBL1308821 0.73 NPSR1 (0.52) ALDH1A1HTTMAPTL3MBTL1NPSR1
SCHEMBL21865632 0.72 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