SCHEMBL3454784

SCHEMBL3454784

O=C([O-])c1ccc(-c2c3nc(c(-c4ccc(C(=O)[O-])cc4)c4ccc([nH]4)c(-c4ccc(C(=O)[O-])cc4)c4nc(c(-c5ccc(C(=O)[O-])cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Sn+4]

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.72
▸ CYCS P99999 4/20 0.70
▸ ENPP2 Q13822 1/20 0.60
▸ ABCG2 Q9UNQ0 1/20 0.52
▸ TERT O14746 4/20 0.49

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
SCHEMBL11528996 0.97 TOP1 (0.72) TOP1CYCSENPP2ABCG2TERT
SCHEMBL31463072 0.97 TOP1 (0.72) TOP1CYCSENPP2ABCG2TERT
SCHEMBL6417052 0.97 CYCS (0.73) TOP1CYCSENPP2ABCG2TERT
SCHEMBL2110994 0.97 TOP1 (0.72) TOP1CYCSENPP2ABCG2TERT
SCHEMBL3130597 0.97 TOP1 (0.72) TOP1CYCSENPP2ABCG2TERT
SCHEMBL8994517 0.97 TOP1 (0.72) TOP1CYCSENPP2ABCG2TERT
SCHEMBL9273850 0.97 TOP1 (0.72) TOP1CYCSENPP2ABCG2TERT
Zinc Ion SCHEMBL3793018 0.97 TOP1 (0.72) TOP1CYCSENPP2ABCG2TERT
Hydrochloric Acid SCHEMBL9480288 0.95 TOP1 (0.70) TOP1CYCSENPP2ABCG2TERT
SCHEMBL11424928 0.94 TOP1 (0.68) TOP1CYCSENPP2ABCG2TERT

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-8501366-B1 Nanoengineered membrane electrode assembly interface SANDIA CORPORATION (US) 2013-08-06 — — US claimed
US-8501366-B1 Nanoengineered membrane electrode assembly interface SANDIA CORPORATION (US) 2013-08-06 — — US disclosed
US-7704489-B1 Method of photocatalytic nanotagging SANDIA CORPORATION (US) 2010-04-27 — — US disclosed
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