SCHEMBL28967296

SCHEMBL28967296

CCCCCCC1(CCCCCC)c2cc(-c3cccc4nsnc34)ccc2-c2ccc(-c3ccc(-c4ccc(OC(C)CC)cc4)c4nsnc34)cc21

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ PDK2 Q15119 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
SCHEMBL30137206 0.93 PTPN11 (0.31) PDK2
SCHEMBL31148286 0.88 — —
SCHEMBL25444701 0.85 PDK2 (0.32) MAPTPDK2
SCHEMBL25444698 0.84 PDK2 (0.38) MAPTPDK2
SCHEMBL22402530 0.84 PDK2 (0.34) MAPTTDP1MEN1KMT2APDK2
SCHEMBL16019308 0.84 PDK2 (0.34) MAPTTDP1MEN1KMT2APDK2
SCHEMBL25444643 0.83 MCL1 (0.32) MAPTPDK2
SCHEMBL14191692 0.82 ALDH1A1 (0.34) MAPTMEN1USP2LMNAKMT2A
SCHEMBL25444726 0.82 MCL1 (0.33) MAPTPDK2
SCHEMBL25444662 0.82 MCL1 (0.33) MAPTPDK2

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-115611827-B Fluorescent sensing material, preparation method thereof and application thereof in organic arsenic detection 中国科学院化学研究所 2024-05-14 — — CN disclosed
CN-115611827-A Fluorescent sensing material, preparation method thereof and application thereof in organic arsenic detection 中国科学院化学研究所 2023-01-17 — — CN disclosed
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