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Sugi Predict / Compounds / SCHEMBL3083109

SCHEMBL3083109

SCHEMBL3083109

OCCOCCN1C=CC(c2c3nc(c(C4=CCN(CCOCCO)C=C4)c4ccc([nH]4)c(C4=CCN(CCOCCO)C=C4)c4nc(c(C5=CCN(CCOCCO)C=C5)c5ccc2[nH]5)C=C4)C=C3)=CC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 4/20 0.37
▸ TOP1 P11387 1/20 0.32
▸ CYCS P99999 2/20 0.32
▸ ENPP2 Q13822 1/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL3081613 0.93 TERT (0.36) TERTTOP1CYCSENPP2
Hydrochloric Acid SCHEMBL8187817 0.87 TERT (0.40) TERTTOP1CYCSENPP2
SCHEMBL7587755 0.86 TERT (0.40) TERTTOP1CYCSENPP2
SCHEMBL7589352 0.83 TERT (0.40) TERTTOP1CYCSENPP2
SCHEMBL4141606 0.82 ENPP2 (0.41) TERTENPP2
SCHEMBL30417440 0.80 TERT (0.39) TERTTOP1CYCSENPP2
Hydrochloric Acid SCHEMBL8183377 0.77 TERT (0.40) TERTTOP1CYCSENPP2
SCHEMBL30417810 0.77 TERT (0.40) TERTTOP1CYCSENPP2
SCHEMBL3083113 0.76 TERT (0.36) TERTTOP1CYCSENPP2ABCG2
SCHEMBL4145137 0.74 ENPP2 (0.46) TERTENPP2

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-7799568-B2 Authentication of products using molecularly imprinted polymers THE JOHNS HOPKINS UNIVERSITY (US) 2010-09-21 — — US disclosed
EP-0946660-B1 A JET INK COMPOSITION VIDEOJET TECHNOLOGIES INC (US) 2002-10-23 — — EP disclosed
US-5271764-A Ink compositions XEROX CORPORATION (US) 1993-12-21 — — US disclosed