SCHEMBL29815013

SCHEMBL29815013

CN1c2ccccc2SC1/C=C/c1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.35
▸ NFE2L2 Q16236 1/20 0.34
▸ MMP1 P03956 2/20 0.34
▸ MMP2 P08253 2/20 0.34
▸ MMP9 P14780 2/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ HSPD1 P10809 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HSPE1 P61604 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ CAPN1 P07384 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ BCHE P06276 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
SCHEMBL28820660 0.88 BCHE (0.39) MAPTBCHE
SCHEMBL28820816 0.88 BCHE (0.39) MAPTBCHE
SCHEMBL29815326 0.86 LCK (0.41) MMP1MMP2MMP9CYP3A4PKM
SCHEMBL29815022 0.85 CYP19A1 (0.41) APPNFKB1RAB9ANFKB2KMT2A
SCHEMBL29814949 0.85 ERBB2 (0.37) RAB9ABCHE
SCHEMBL29815035 0.85 NFE2L2 (0.41) APPNFE2L2RAB9AKMT2ATP53
SCHEMBL29815216 0.83 KDM1A (0.38) NFE2L2MMP1MMP2MMP9KMT2A
SCHEMBL21300106 0.83 RELA (0.46) APPRAB9AKMT2ARELAMAPT
SCHEMBL31231848 0.83 APP (0.40) APPSMN1; SMN2
SCHEMBL29815123 0.82 TRPA1 (0.41) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115504943-B Fluorescent probe containing phenolic hydroxyl and targeting nucleolus and RNA, preparation method and application thereof 北京理工大学 2024-10-15 — — CN claimed
CN-115504943-B Fluorescent probe containing phenolic hydroxyl and targeting nucleolus and RNA, preparation method and application thereof 北京理工大学 2024-10-15 — — CN disclosed
CN-115504943-A Phenolic hydroxyl group-containing targeted nucleolus and RNA fluorescent probe, preparation method and application thereof 北京理工大学 2022-12-23 — — CN disclosed
CN-110308124-B Application of fluorescence probe containing benzothiazole compound in detecting bacterial messenger molecule c-di-GMP 暨南大学 2022-06-03 — — CN disclosed
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