SCHEMBL8977875

SCHEMBL8977875

O=C(O)c1c2nc(c(-c3ccccc3)c3ccc(cc4nc(c(-c5ccccc5)c5ccc1[nH]5)C=C4)[nH]3)C=C2

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.69
▸ STAT1 P42224 1/20 0.69
▸ TOP1 P11387 4/20 0.52
▸ CYCS P99999 4/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ ENPP2 Q13822 1/20 0.41
▸ TERT O14746 4/20 0.39

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
SCHEMBL455573 0.96 STAT3 (0.67) STAT3STAT1TOP1CYCSABCG2
SCHEMBL31550992 0.89 STAT3 (0.86) STAT3STAT1TOP1CYCSABCG2
SCHEMBL1224432 0.89 STAT3 (0.86) STAT3STAT1TOP1CYCSABCG2
SCHEMBL30293296 0.89 STAT3 (0.86) STAT3STAT1TOP1CYCSABCG2
SCHEMBL17841775 0.88 STAT3 (0.84) STAT3STAT1TOP1CYCSABCG2
SCHEMBL31324940 0.88 STAT3 (0.84) STAT3STAT1TOP1CYCSENPP2
SCHEMBL31324939 0.88 STAT3 (0.84) STAT3STAT1TOP1CYCSENPP2
SCHEMBL24270402 0.86 STAT3 (0.82) STAT3STAT1TOP1CYCSABCG2
SCHEMBL6291665 0.86 STAT3 (0.62) STAT3STAT1TOP1CYCSABCG2
SCHEMBL2563180 0.86 STAT3 (0.91) STAT3STAT1TOP1CYCSENPP2

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
US-5493017-A Ring-metalated porphyrins THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1996-02-20 — — US disclosed
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