SCHEMBL15580415

SCHEMBL15580415

C[n+]1ccc(-c2c3nc(c(-c4cc[n+](C)cc4)c4ccc([nH]4)c(-c4cc[n+](C)cc4)c4nc(c(-c5ccc(O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 6/20 0.80
▸ TOP1 P11387 4/20 0.52
▸ CYCS P99999 3/20 0.51
▸ ENPP2 Q13822 1/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.47

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
Tmpyp4 SCHEMBL265519 0.91 TERT (0.97) TERTTOP1CYCSENPP2ABCG2
Tmpyp4 SCHEMBL29369473 0.89 TERT (1.00) TERTTOP1CYCSENPP2ABCG2
Tmpyp4 SCHEMBL20380171 0.89 TERT (0.93) TERTTOP1CYCSENPP2ABCG2
SCHEMBL499290 0.87 TOP1 (0.65) TERTTOP1CYCSENPP2ABCG2
SCHEMBL18016429 0.87 TERT (0.82) TERTTOP1CYCSENPP2ABCG2
SCHEMBL2337788 0.86 TOP1 (0.63) TERTTOP1CYCSENPP2ABCG2
SCHEMBL29817713 0.86 TOP1 (0.63) TERTTOP1CYCSENPP2ABCG2
SCHEMBL4109032 0.86 TOP1 (0.63) TERTTOP1CYCSENPP2ABCG2
Hydrochloric Acid SCHEMBL30735631 0.86 TOP1 (0.63) TERTTOP1CYCSENPP2ABCG2
SCHEMBL29801701 0.86 TOP1 (0.63) TERTTOP1CYCSENPP2ABCG2

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-2346875-B1 METALLOPORPHYRIN DERIVATIVES, NANOPARTICLES COMPRISING THE SAME, AND USE THEREOF FOR PHOTODYNAMIC THERAPY CENTRE NAT RECH SCIENT (FR) 2014-03-19 — — EP disclosed
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