SCHEMBL28505872

SCHEMBL28505872

C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.CC(=O)CC(C)=O.[Gd]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ STAT1 P42224 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ TP53 P04637 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 1/20 0.30
▸ P2RY12 Q9H244 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
Acetone SCHEMBL29186682 0.89 STAT3 (0.36) KDM4EALDH1A1STAT3STAT1TP53
Acetic Acid SCHEMBL8673453 0.87 STAT3 (0.38) MAPTKDM4EALDH1A1STAT3STAT1
Methyl Alcohol SCHEMBL6497173 0.87 STAT3 (0.39) STAT3STAT1
Acetic Acid SCHEMBL29181911 0.85 STAT3 (0.37) MAPTKDM4EALDH1A1STAT3STAT1
Methyl Alcohol SCHEMBL28910587 0.85 STAT3 (0.38) STAT3STAT1
Acetic Acid SCHEMBL29181913 0.84 STAT3 (0.33) STAT3STAT1
Acetic Acid SCHEMBL28633839 0.84 STAT3 (0.33) STAT3STAT1
Acetic Acid SCHEMBL28646520 0.84 STAT3 (0.33) STAT3STAT1
Acetic Acid SCHEMBL21121213 0.84 STAT3 (0.33) STAT3STAT1
Malonic Acid SCHEMBL5133240 0.84 STAT3 (0.36) MAPTKDM4EALDH1A1STAT3STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109260473-B Porphyrin nano-composite with tumor targeting function and preparation method and application thereof 河南大学 2020-12-22 — — CN claimed
CN-109260473-B Porphyrin nano-composite with tumor targeting function and preparation method and application thereof 河南大学 2020-12-22 — — CN disclosed
CN-109260473-B Porphyrin nano-composite with tumor targeting function and preparation method and application thereof 河南大学 2020-12-22 — — CN disclosed
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