SCHEMBL29467128

SCHEMBL29467128

CC(=O)Oc1cccc(-c2cc3cc4nc(c(OC(C)=O)c5ccc([nH]5)c(OC(C)=O)c5nc(c(OC(C)=O)c2[nH]3)C=C5)C=C4)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAPDH P04406 2/20 0.39
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ BACE1 P56817 2/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ ACHE P22303 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ STAT3 P40763 1/20 0.32
▸ STAT1 P42224 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL18917430 1.00 GAPDH (0.39) GAPDHLMNAALDH1A1MAPTMAOB
SCHEMBL18917435 0.85 STAT3 (0.47) GAPDHLMNAALDH1A1MAPTMAOB
SCHEMBL29467148 0.85 STAT3 (0.47) GAPDHLMNAALDH1A1MAPTMAOB
SCHEMBL27928192 0.79 FGFR2 (0.38) LMNAALDH1A1MAPTFGFR1STAT3
SCHEMBL18917429 0.78 BACE1 (0.45) LMNAALDH1A1MAPTBACE1ADORA2A
SCHEMBL27810235 0.74 STAT3 (0.35) LMNAMAPTPDGFRBSTAT3STAT1
SCHEMBL18917432 0.71 TOP1 (0.51) LMNAALDH1A1MAPTADORA2AACHE
SCHEMBL31300179 0.70 GRIN1 (0.33) MAOBSTAT3STAT1PKM
SCHEMBL30561563 0.69 STAT3 (0.38) MAPTSTAT3STAT1
SCHEMBL28247692 0.69 STAT3 (0.38) MAPTSTAT3STAT1

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-108779124-B Gold porphyrin-PEG conjugates and methods of use 香港大学 2022-03-01 — — CN disclosed
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