SCHEMBL26523772

SCHEMBL26523772

CCC(=O)Oc1nc(SCc2c(C)cncc2Cl)nc2c1CCC2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.42
▸ GAA P10253 4/20 0.41
▸ L3MBTL1 Q9Y468 6/20 0.41
▸ HTT P42858 4/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ LMNA P02545 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 1/20 0.33
▸ ALOX5 P09917 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
SCHEMBL26110179 0.95 GAA (0.43) KMT2AGAAL3MBTL1HTTTDP1
SCHEMBL26520352 0.89 NPSR1 (0.41) KMT2AGAAL3MBTL1HTTTDP1
SCHEMBL26520473 0.87 KMT2A (0.41) KMT2AGAAL3MBTL1HTTTDP1
SCHEMBL26520355 0.87 KMT2A (0.41) KMT2AGAAL3MBTL1HTTTDP1
SCHEMBL26519670 0.84 NPSR1 (0.42) KMT2AGAAL3MBTL1HTTTDP1
SCHEMBL26520350 0.84 KMT2A (0.39) KMT2AGAAL3MBTL1HTTTDP1
SCHEMBL26519854 0.83 L3MBTL1 (0.37) KMT2AGAAL3MBTL1HTTTDP1
SCHEMBL26520078 0.82 L3MBTL1 (0.40) KMT2AGAAL3MBTL1HTTTDP1
SCHEMBL26519673 0.82 KMT2A (0.42) KMT2AGAAL3MBTL1HTTTDP1
SCHEMBL26109601 0.82 KMT2A (0.42) KMT2AGAAL3MBTL1HTTTDP1

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-2023196614-A1 METHODS AND COMPOUNDS FOR TREATING NEUROLOGICAL DISORDERS AXONIS THERAPEUTICS, INC. (US) 2023-10-12 — — WO disclosed
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