SCHEMBL8866471

SCHEMBL8866471

Ic1c2nc(c(-c3ccccc3)c3ccc(cc4nc(c(-c5ccccc5)c5ccc1[nH]5)C=C4)[nH]3)C=C2.[Zn]

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.72
▸ STAT1 P42224 1/20 0.72
▸ TOP1 P11387 4/20 0.42
▸ CYCS P99999 3/20 0.41
▸ TERT O14746 4/20 0.40
▸ ENPP2 Q13822 1/20 0.38
▸ ABCG2 Q9UNQ0 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
SCHEMBL8866715 0.99 STAT3 (0.74) STAT3STAT1TOP1CYCSTERT
SCHEMBL1224432 0.91 STAT3 (0.86) STAT3STAT1TOP1CYCSTERT
SCHEMBL31550992 0.91 STAT3 (0.86) STAT3STAT1TOP1CYCSTERT
SCHEMBL30293296 0.91 STAT3 (0.86) STAT3STAT1TOP1CYCSTERT
SCHEMBL31324940 0.90 STAT3 (0.84) STAT3STAT1TOP1CYCSTERT
SCHEMBL17841775 0.90 STAT3 (0.84) STAT3STAT1TOP1CYCSTERT
SCHEMBL31324939 0.90 STAT3 (0.84) STAT3STAT1TOP1CYCSTERT
SCHEMBL28908470 0.90 STAT3 (0.89) STAT3STAT1TOP1CYCSTERT
SCHEMBL24270402 0.89 STAT3 (0.82) STAT3STAT1TOP1CYCSTERT
SCHEMBL2563180 0.88 STAT3 (0.91) STAT3STAT1TOP1CYCSTERT

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
US-5703230-A Meso-monoiodo-substituted tetramacrocyclic compounds and methods for making and using the same UNIVERSITY OF BRITISH COLUMBIA (CA) 1997-12-30 — — US disclosed
EP-0794954-A1 MESO-MONOIODO-SUBSTITUTED TETRAMACROCYCLIC COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME QUADRA LOGIC TECHNOLOGIES INC. (CA) 1997-09-17 — — EP disclosed
WO-1996016966-A1 MESO-MONOIODO-SUBSTITUTED TETRAMACROCYCLIC COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME QUADRA LOGIC TECHNOLOGIES, INC. (CA) 1996-06-06 — — WO disclosed
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