SCHEMBL28644074

SCHEMBL28644074

Cc1ccsc1SOSc1sccc1C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP2A6 P11509 1/20 0.32
▸ GSK3B P49841 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL28439022 0.77 NPC1 (0.39) NPC1PKMRAB9AATML3MBTL1
SCHEMBL8588740 0.77 NPC1 (0.39) NPC1PKMRAB9AATML3MBTL1
SCHEMBL16186484 0.75 — —
SCHEMBL21445082 0.67 GSK3B (0.40) NPC1PKMRAB9AGSK3B
SCHEMBL10387669 0.66 S100A4 (0.36) NPC1PKMRAB9AATML3MBTL1
SCHEMBL28998325 0.64 — —
SCHEMBL29241969 0.64 — —
SCHEMBL8588511 0.63 FDPS (0.51) NPC1PKMRAB9AATML3MBTL1
SCHEMBL722595 0.62 CYP2A6 (0.56) NPC1PKMRAB9AATML3MBTL1
SCHEMBL113923 0.62 — —

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-111303150-B High-efficiency narrow-half-peak-width aggregation state luminescent material 苏州大学 2021-10-19 — — CN disclosed
CN-111303150-A High-efficiency narrow-half-peak-width aggregation state luminescent material 苏州大学 2020-06-19 — — CN disclosed
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