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SCHEMBL29935687

SCHEMBL29935687

CC[n+]1ccccc1-c1c2nc(c(-c3cccc[n+]3CC)c3ccc([nH]3)c(-c3cccc[n+]3CC)c3nc(c(-c4cccc[n+]4CC)c4ccc1[nH]4)C=C3)C=C2.[Mn+3]

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 6/20 0.51
▸ TOP1 P11387 2/20 0.35
▸ CYCS P99999 2/20 0.35
▸ ENPP2 Q13822 1/20 0.34

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
Hydrochloric Acid SCHEMBL4753666 0.99 TERT (0.50) TERTTOP1CYCSENPP2
SCHEMBL453031 0.99 TERT (0.52) TERTTOP1CYCSENPP2
SCHEMBL4914167 0.97 TERT (0.51) TERTTOP1CYCSENPP2
Hydrochloric Acid SCHEMBL4753685 0.96 TERT (0.53) TERTTOP1CYCS
SCHEMBL450264 0.89 TERT (0.48) TERTTOP1CYCSENPP2
SCHEMBL452379 0.86 TERT (0.46) TERTTOP1
SCHEMBL29935401 0.85 NPC1 (0.44) TERT
SCHEMBL6007193 0.85 STAT3 (0.49) TERT
SCHEMBL30096016 0.84 NPC1 (0.45) TERT
SCHEMBL452116 0.84 NPC1 (0.45) TERT

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
EP-4059496-A1 MNTBAP AND M(III) N-SUBSTITUTED PYRIDYLPORPHYRINS (MNPS) FOR USE IN REVERSING SEPSIS-INDUCED MICROGLIAL CELLS ALTERATION(S), ASSOCIATED LONG-TERM COGNITIVE IMPAIRMENT, AND/OR FOR TREATING SEPSIS OR SEPSIS-ASSOCIATED ENCEPHALOPATHY (SAE), AND/OR RELATED SHORT AND/OR LONG-TERM SYMPTOMS OR COMPLICATIONS THEREOF INSTITUT PASTEUR (FR) 2022-09-21 — — EP disclosed
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