SCHEMBL29928086

SCHEMBL29928086

N#Cc1ccc(-c2nc3ccccc3s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 8/20 0.63
▸ RAB9A P51151 6/20 0.63
▸ NPC1 O15118 5/20 0.63
▸ KDM4E B2RXH2 3/20 0.63
▸ GLA P06280 2/20 0.63
▸ GAA P10253 2/20 0.63
▸ MAPT P10636 2/20 0.63
▸ MMP9 P14780 2/20 0.63
▸ MMP8 P22894 2/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ LMNA P02545 1/20 0.63
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ PKM P14618 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ PAX8 Q06710 1/20 0.58
▸ NOD2 Q9HC29 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ TNF P01375 1/20 0.58
▸ NOD1 Q9Y239 1/20 0.58

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
SCHEMBL6807684 1.00 APP (0.63) APPRAB9ANPC1KDM4EGLA
SCHEMBL24332467 0.94 APP (0.58) APPRAB9ANPC1KDM4EGLA
SCHEMBL24332276 0.94 APP (0.58) APPRAB9ANPC1KDM4EGLA
SCHEMBL24332167 0.94 APP (0.58) APPRAB9ANPC1KDM4EGLA
SCHEMBL24332465 0.94 APP (0.58) APPRAB9ANPC1KDM4EGLA
SCHEMBL24331811 0.93 APP (0.57) APPRAB9ANPC1KDM4EGLA
SCHEMBL24332090 0.93 APP (0.57) APPRAB9ANPC1KDM4EGLA
SCHEMBL24037899 0.91 APP (0.56) APPRAB9ANPC1KDM4EGLA
SCHEMBL24037844 0.91 APP (0.56) APPRAB9ANPC1KDM4EGLA
SCHEMBL11448605 0.91 APP (0.54) APPRAB9ANPC1KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118725333-A Keggin type polyacid-based metal organic framework molecular material, synthesis method and application of Keggin type polyacid-based metal organic framework molecular material as photocatalyst 周口师范学院 2024-10-01 — — CN claimed
CN-118725333-A Keggin type polyacid-based metal organic framework molecular material, synthesis method and application of Keggin type polyacid-based metal organic framework molecular material as photocatalyst 周口师范学院 2024-10-01 — — CN disclosed
CN-116422347-B Preparation method and application of QDs/TNTs composite catalyst material 浙江理工大学 2024-09-13 — — CN disclosed
CN-115197165-B Method for preparing benzothiazole compound by reacting photocatalytic toluene compound and o-aminophenylsulfiol 河南师范大学 2024-01-26 — — CN disclosed
CN-116422347-A Preparation method and application of QDs/TNTs composite catalyst material 浙江理工大学 2023-07-14 — — CN disclosed
CN-115197165-A Method for preparing benzothiazole compound by photocatalytic reaction of toluene compound and o-aminothiophenol 河南师范大学 2022-10-18 — — CN disclosed
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