SCHEMBL30444589

SCHEMBL30444589

CCCCCCN1c2ccc(C=CC(=O)C=Cc3ccc4c(c3)Sc3c(Br)cccc3N4CCCCCC)cc2Sc2c(Br)cccc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDF Q9HBH1 3/20 0.44
▸ FNTA P49354 3/20 0.38
▸ FNTB P49356 3/20 0.38
▸ HSD17B3 P37058 1/20 0.36
▸ APP P05067 1/20 0.36
▸ CDC25A P30304 9/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ GPR183 P32249 1/20 0.35
▸ LY96 Q9Y6Y9 1/20 0.35

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
SCHEMBL30445358 0.86 PDF (0.54) PDFFNTAFNTBHDAC6
SCHEMBL28365729 0.78 PDF (0.54) PDFCDC25A
SCHEMBL31174402 0.76 PDF (0.49) PDFFNTAFNTBAPPHDAC6
SCHEMBL27880193 0.74 PDF (0.39) PDFCDC25A
SCHEMBL27945824 0.74 PDF (0.39) PDFCDC25A
SCHEMBL28053125 0.72 ALDH1A3 (0.37) PDFAPP
SCHEMBL30444312 0.72 HDAC6 (0.50) FNTAFNTBAPPHDAC6
SCHEMBL31174406 0.72 PDF (0.43) PDFCDC25A
SCHEMBL27766622 0.72 PDF (0.43) PDFCDC25A
SCHEMBL31174404 0.72 PDF (0.53) PDFCDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110894191-B Phenothiazinyl conjugated benzylidene ketone photosensitizer as well as preparation method and application thereof 安庆北化大科技园有限公司 2023-06-20 — — CN disclosed
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