Sugi Predict

Sugi Predict / Compounds / SCHEMBL3087029

SCHEMBL3087029

SCHEMBL3087029

CC(O)CN1C=CC(c2c3nc(c(C4=CCN(CC(C)O)C=C4)c4ccc([nH]4)c(C4=CCN(CC(C)O)C=C4)c4nc(c(C5=CCN(CC(C)O)C=C5)c5ccc2[nH]5)C=C4)C=C3)=CC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 3/20 0.37
▸ TOP1 P11387 3/20 0.34
▸ CYCS P99999 2/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.32

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
SCHEMBL3089988 0.81 TERT (0.41) TERTTOP1CYCSENPP2
Hydrochloric Acid SCHEMBL8189751 0.78 TOP1 (0.37) TERTTOP1CYCSENPP2ABCG2
SCHEMBL5493084 0.78 TERT (0.36) TERTTOP1CYCSENPP2
Bromide SCHEMBL4128664 0.75 TERT (0.43) TERTTOP1CYCSENPP2
SCHEMBL2375486 0.75 TERT (0.43) TERTTOP1CYCSENPP2
SCHEMBL10481256 0.70 TERT (0.45) TERTTOP1CYCSENPP2ABCG2
SCHEMBL3081616 0.70 TERT (0.34) TERTTOP1ABCG2
SCHEMBL17511756 0.69 TERT (0.38) TERTTOP1CYCSENPP2
Hydrochloric Acid SCHEMBL8182742 0.68 TERT (0.46) TERTTOP1CYCSENPP2ABCG2
SCHEMBL30932052 0.58 TOP1 (0.38) 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 2 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
US-5271764-A Ink compositions XEROX CORPORATION (US) 1993-12-21 — — US disclosed