SCHEMBL31121522

SCHEMBL31121522

C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.[Re]

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.62
▸ STAT3 P40763 1/20 0.61
▸ STAT1 P42224 1/20 0.61
▸ CYCS P99999 3/20 0.60
▸ TERT O14746 4/20 0.59
▸ ENPP2 Q13822 1/20 0.54

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
SCHEMBL31121523 1.00 TOP1 (0.62) TOP1STAT3STAT1CYCSTERT
SCHEMBL29405434 0.98 TOP1 (0.64) TOP1STAT3STAT1CYCSTERT
SCHEMBL30136 0.98 TOP1 (0.64) TOP1STAT3STAT1CYCSTERT
SCHEMBL7987113 0.96 TOP1 (0.62) TOP1STAT3STAT1CYCSTERT
SCHEMBL9640434 0.96 TOP1 (0.62) TOP1STAT3STAT1CYCSTERT
SCHEMBL991489 0.96 TOP1 (0.62) TOP1STAT3STAT1CYCSTERT
SCHEMBL15085674 0.96 TOP1 (0.62) TOP1STAT3STAT1CYCSTERT
SCHEMBL8014524 0.96 TOP1 (0.62) TOP1STAT3STAT1CYCSTERT
SCHEMBL483081 0.96 TOP1 (0.62) TOP1STAT3STAT1CYCSTERT
SCHEMBL1313700 0.96 TOP1 (0.62) TOP1STAT3STAT1CYCSTERT

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-118491298-A Electrochemical separation12C and C13Method for producing C isotope 中国科学院福建物质结构研究所 2024-08-16 — — CN disclosed
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