SCHEMBL28927396

SCHEMBL28927396

CCCCSc1c(C=O)c(=O)oc2cc(N(CC)CC)c([N+](=O)[O-])cc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH3A1 P30838 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ PGR P06401 2/20 0.34
▸ HCAR3 P49019 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MAP1LC3B Q9GZQ8 1/20 0.30
▸ MAP1LC3A Q9H492 1/20 0.30

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
SCHEMBL28946493 0.96 ALDH3A1 (0.39) ALDH3A1ALDH1A1NPSR1PGRHCAR3
SCHEMBL28946484 0.86 EGFR (0.32) ALDH3A1ALDH1A1PGRHCAR3MAPT
SCHEMBL30827138 0.84 SLC16A3 (0.34) ALDH3A1ALDH1A1HCAR3MAPTKDM4E
SCHEMBL28927435 0.84 SLC16A3 (0.34) ALDH3A1ALDH1A1HCAR3MAPTKDM4E
SCHEMBL28946492 0.80 ALDH1A1 (0.35) ALDH1A1NPSR1HCAR3MAPTKDM4E
SCHEMBL28946482 0.80 ALDH3A1 (0.46) ALDH3A1ALDH1A1NPSR1PGRHCAR3
SCHEMBL28946503 0.80 KDM4E (0.34) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL30109062 0.80 KDM4E (0.34) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL28927394 0.80 KDM4E (0.34) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL28927474 0.77 ALDH1A1 (0.55) ALDH1A1NPSR1MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115490674-B Synthesis and application of fluorescent probe for selectively detecting homocysteine 湖南师范大学 2025-02-07 — — CN claimed
CN-117229279-A Synthesis and application of dual-function fluorescent probe for simultaneously detecting homocysteine and viscosity 湖南师范大学 2023-12-15 — — CN claimed
CN-115490674-A Synthesis and application of fluorescent probe for selectively detecting homocysteine 湖南师范大学 2022-12-20 — — CN claimed
CN-115417891-A Synthesis and application of bifunctional fluorescent probe for simultaneously detecting homocysteine and hydrogen peroxide 湖南师范大学 2022-12-02 — — CN claimed
CN-115490674-B Synthesis and application of fluorescent probe for selectively detecting homocysteine 湖南师范大学 2025-02-07 — — CN disclosed
CN-115490664-B Synthesis and application of fluorescent probe for selectively detecting homocysteine 湖南师范大学 2024-02-13 — — CN disclosed
CN-117229279-A Synthesis and application of dual-function fluorescent probe for simultaneously detecting homocysteine and viscosity 湖南师范大学 2023-12-15 — — CN disclosed
CN-115490674-A Synthesis and application of fluorescent probe for selectively detecting homocysteine 湖南师范大学 2022-12-20 — — CN disclosed
CN-115490664-A Synthesis and application of fluorescent probe for selectively detecting homocysteine 湖南师范大学 2022-12-20 — — CN disclosed
CN-115417891-A Synthesis and application of bifunctional fluorescent probe for simultaneously detecting homocysteine and hydrogen peroxide 湖南师范大学 2022-12-02 — — CN disclosed
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