SCHEMBL31541144

SCHEMBL31541144

C=CC(=O)Oc1cc2cc3nc(cc4ccc(cc5nc(cc1[nH]2)C=C5)[nH]4)C=C3

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 1/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ STAT1 P42224 1/20 0.32
▸ THRB P10828 2/20 0.31
▸ THRA P10827 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
SCHEMBL28166885 0.79 KMT2A (0.40) STAT3STAT1
SCHEMBL28166680 0.78 KMT2A (0.39) STAT3STAT1
SCHEMBL27689652 0.77 STAT3 (0.35) STAT3STAT1
Acrylamide SCHEMBL9229442 0.76 ALDH1A1 (0.38) STAT3STAT1
SCHEMBL480532 0.75 STAT3 (0.37) STAT3STAT1
SCHEMBL6055118 0.75 SLC22A6 (0.34) STAT3STAT1
SCHEMBL461737 0.72 STAT3 (0.37) STAT3STAT1
Butadiene SCHEMBL3447555 0.72 STAT3 (0.37) STAT3STAT1
Formaldehyde SCHEMBL28139016 0.72 STAT3 (0.39) STAT3STAT1
Formaldehyde SCHEMBL27704074 0.72 STAT3 (0.39) STAT3STAT1

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-120005084-A Water-soluble near-infrared region stimulus-responsive chemiluminescent macromolecular fluorescent probe and preparation method and application thereof 安徽师范大学 2025-05-16 — — CN claimed
CN-120005084-A Water-soluble near-infrared region stimulus-responsive chemiluminescent macromolecular fluorescent probe and preparation method and application thereof 安徽师范大学 2025-05-16 — — CN disclosed
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