SCHEMBL28318827

SCHEMBL28318827

O=[N+]([O-])c1ccc(C2=CC3=CC4=NC(=CC5=NC(=CC6=NC(=CC2=N3)C=C6)C=C5)C=C4)c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ CES1 P23141 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
SCHEMBL28318813 0.89 GPR35 (0.36) —
SCHEMBL3201610 0.89 — —
SCHEMBL6033614 0.82 PTPN1 (0.43) —
SCHEMBL9091732 0.74 MAPT (0.38) ACHE
SCHEMBL28452877 0.73 MAPT (0.37) ACHE
SCHEMBL28277294 0.71 — —
SCHEMBL27952661 0.69 — —
SCHEMBL28755182 0.68 ALDH1A1 (0.36) —
SCHEMBL27969689 0.68 — —
SCHEMBL2832432 0.67 BCHE (0.50) BCHEACHECES1

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-110317205-A A kind of chain porphyrin polymer and its synthetic method 长春理工大学 2019-10-11 — — CN disclosed
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