SCHEMBL28432146

SCHEMBL28432146

Cc1cc(Nc2nc(C(C)S)nc(C(C)S)n2)cc(C)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ G6PD P11413 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ LRRK2 Q5S007 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ TTK P33981 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ CYTH2 Q99418 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KCNH3 Q9ULD8 3/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ SYK P43405 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ NFKB1 P19838 1/20 0.31

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
SCHEMBL28432988 0.79 MEN1 (0.36) MEN1GAAG6PDKMT2AL3MBTL1
SCHEMBL23643398 0.79 GAA (0.47) MEN1GAAG6PDKMT2AL3MBTL1
SCHEMBL23643419 0.75 NFKB1 (0.53) MEN1GAAG6PDKMT2AL3MBTL1
SCHEMBL18639447 0.72 GAA (0.74) MEN1GAAG6PDKMT2AL3MBTL1
SCHEMBL9123851 0.71 KMT2A (0.43) MEN1GAAG6PDKMT2AL3MBTL1
SCHEMBL15488091 0.69 MEN1 (0.41) MEN1GAAG6PDKMT2AL3MBTL1
SCHEMBL12895790 0.68 MAPT (0.41) MEN1GAAKMT2AL3MBTL1NPC1
SCHEMBL28626015 0.68 MEN1 (0.40) MEN1GAAG6PDKMT2AL3MBTL1
SCHEMBL23786274 0.65 SMN1; SMN2 (0.51) MEN1GAAKMT2ACA1CA2
SCHEMBL11250028 0.64 GPR84 (0.37) MEN1GAAG6PDKMT2AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108929396-B Rare earth metal catalyst system and method for preparing high cis conjugated diene polymer 北京化工大学 2020-07-28 — — CN claimed
CN-108929396-B Rare earth metal catalyst system and method for preparing high cis conjugated diene polymer 北京化工大学 2020-07-28 — — CN disclosed
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