SCHEMBL16270682

SCHEMBL16270682

C1=Cc2nc1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc([nH]4)c2-c2ccccc2)CC3)C=C1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYCS P99999 3/20 0.54
▸ TERT O14746 4/20 0.53
▸ TOP1 P11387 4/20 0.51
▸ STAT3 P40763 1/20 0.51
▸ STAT1 P42224 1/20 0.51
▸ ENPP2 Q13822 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL4413776 0.98 TOP1 (0.53) CYCSTERTTOP1STAT3STAT1
SCHEMBL19326350 0.90 TOP1 (0.49) CYCSTERTTOP1STAT3STAT1
SCHEMBL19901985 0.90 TOP1 (0.60) CYCSTERTTOP1STAT3STAT1
SCHEMBL8676967 0.90 STAT3 (0.46) CYCSTERTTOP1STAT3STAT1
SCHEMBL1419546 0.88 STAT3 (0.41) CYCSTOP1STAT3STAT1
Tetraphenylporphyrin SCHEMBL30006197 0.88 CYCS (0.65) CYCSTERTTOP1STAT3STAT1
Tetraphenylporphyrin SCHEMBL578886 0.88 CYCS (0.65) CYCSTERTTOP1STAT3STAT1
SCHEMBL18510098 0.87 CYCS (0.63) CYCSTERTTOP1STAT3STAT1
SCHEMBL16923752 0.87 TOP1 (0.46) CYCSTERTTOP1STAT3STAT1
SCHEMBL17934754 0.87 TOP1 (0.75) CYCSTERTTOP1STAT3STAT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2808328-B1 Pentaphyrins useful in the biomedical field UNIV DEGLI STUDI UDINE (IT) 2016-04-20 — — EP disclosed
EP-2808328-A1 Pentaphyrins useful in the biomedical field Universita' Degli Studi di Udine (IT) 2014-12-03 — — EP disclosed
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