SCHEMBL28301332

SCHEMBL28301332

CCCCCC1=CC2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C=C5)C=C4)C=C3.CCCCCC1=CC2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C=C5)C=C4)C=C3

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.36
▸ BACE1 P56817 1/20 0.36

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
SCHEMBL27529149 0.98 ACHE (0.35) ACHEBACE1
SCHEMBL27901578 0.98 ACHE (0.38) ACHEBACE1
SCHEMBL27884483 0.98 ACHE (0.38) ACHEBACE1
Ammonia Solution, Strong SCHEMBL28805016 0.98 ACHE (0.35) ACHEBACE1
SCHEMBL15510969 0.98 ACHE (0.38) ACHEBACE1
SCHEMBL7647125 0.98 ACHE (0.38) ACHEBACE1
SCHEMBL28044445 0.98 ACHE (0.38) ACHEBACE1
SCHEMBL27920246 0.98 ACHE (0.38) ACHEBACE1
SCHEMBL28508853 0.98 ACHE (0.38) ACHEBACE1
SCHEMBL28598443 0.97 ACHE (0.37) ACHEBACE1

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-109922834-A Porphyrin compound and composition for treating cancer 良药治疗公司 2019-06-21 — — CN disclosed
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