SCHEMBL12733626

SCHEMBL12733626

O=C(O)c1ccc(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.81
▸ CYCS P99999 4/20 0.79
▸ ENPP2 Q13822 1/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ TTR P02766 1/20 0.45
▸ TERT O14746 2/20 0.43

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
SCHEMBL709532 0.90 TOP1 (1.00) TOP1CYCSENPP2ABCG2TTR
SCHEMBL29354037 0.90 TOP1 (1.00) TOP1CYCSENPP2ABCG2TTR
SCHEMBL31463636 0.89 TOP1 (0.97) TOP1CYCSENPP2ABCG2TTR
SCHEMBL19640853 0.89 CYCS (1.00) TOP1CYCSENPP2ABCG2TTR
SCHEMBL31463632 0.89 TOP1 (0.97) TOP1CYCSENPP2ABCG2TTR
SCHEMBL12842181 0.89 CYCS (0.97) TOP1CYCSENPP2ABCG2TTR
SCHEMBL3047596 0.89 TOP1 (0.97) TOP1CYCSENPP2ABCG2TTR
SCHEMBL1497141 0.89 TOP1 (0.97) TOP1CYCSENPP2ABCG2TTR
SCHEMBL17183606 0.89 TOP1 (0.97) TOP1CYCSENPP2ABCG2TTR
Hydrochloric Acid SCHEMBL17002623 0.89 TOP1 (0.97) TOP1CYCSENPP2ABCG2TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9205420-B2 Nanostructures, systems, and methods for photocatalysis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-08 — — US disclosed
WO-2013006427-A1 METHODS AND SYSTEMS USEFUL FOR SOLAR ENERGY STORAGE SUN CATALYTIX CORPORATION (US) 2013-01-10 — — WO disclosed
US-7922891-B2 Methods for detection and quantification of analytes ARIZONA BOARD OF REGENTS (US) 2011-04-12 — — US disclosed
US-7922891-B2 Methods for detection and quantification of analytes ARIZONA BOARD OF REGENTS (US) 2011-04-12 — — US disclosed
US-20070184309-A1 Methods for use of a photobiofuel cell in production of hydrogen and other materials GUST JR JOHN D 2007-08-09 — — US disclosed
US-20070184309-A1 Methods for use of a photobiofuel cell in production of hydrogen and other materials GUST JR JOHN D 2007-08-09 — — US disclosed
US-20070175770-A1 Methods for detection and quantification of analytes ARIZONA BOARD OF REGENTS 2007-08-02 — — US disclosed
US-20070175770-A1 Methods for detection and quantification of analytes ARIZONA BOARD OF REGENTS 2007-08-02 — — US disclosed
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