SCHEMBL4109032

SCHEMBL4109032

Oc1ccc(-c2c3nc(c(-c4ccc(O)cc4)c4ccc([nH]4)c(-c4ccc(O)cc4)c4nc(c(-c5ccc(O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Ni]

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.63
▸ CYCS P99999 3/20 0.61
▸ ENPP2 Q13822 1/20 0.59
▸ TERT O14746 4/20 0.56
▸ ABCG2 Q9UNQ0 1/20 0.51

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
SCHEMBL499290 0.98 TOP1 (0.65) TOP1CYCSENPP2TERTABCG2
SCHEMBL29801701 0.96 TOP1 (0.63) TOP1CYCSENPP2TERTABCG2
SCHEMBL29817713 0.96 TOP1 (0.63) TOP1CYCSENPP2TERTABCG2
SCHEMBL2337788 0.96 TOP1 (0.63) TOP1CYCSENPP2TERTABCG2
Hydrochloric Acid SCHEMBL30735631 0.96 TOP1 (0.63) TOP1CYCSENPP2TERTABCG2
SCHEMBL29015668 0.92 TOP1 (0.55) TOP1CYCSENPP2TERTABCG2
SCHEMBL29585765 0.91 TOP1 (0.62) TOP1CYCSENPP2TERTABCG2
SCHEMBL29403816 0.91 TOP1 (0.62) TOP1CYCSENPP2TERTABCG2
SCHEMBL14181445 0.91 TOP1 (0.62) TOP1CYCSENPP2TERTABCG2
SCHEMBL6292613 0.91 TOP1 (0.62) TOP1CYCSENPP2TERTABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140066489-A1 DECREASING OR PREVENTING SUB-SURFACE GEOLOGICAL MATTER CONTAMINATION BY AGROCHEMICALS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2014-03-06 — — US claimed
US-20090227462-A1 Decreasing or Preventing Sub-Surface Geological Matter Contamination by Agrochemicals YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2009-09-10 — — US claimed
US-20140066489-A1 DECREASING OR PREVENTING SUB-SURFACE GEOLOGICAL MATTER CONTAMINATION BY AGROCHEMICALS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2014-03-06 — — US disclosed
US-8580711-B2 Decreasing or preventing sub-surface geological matter contamination by agrochemicals YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2013-11-12 — — US disclosed
US-20090227462-A1 Decreasing or Preventing Sub-Surface Geological Matter Contamination by Agrochemicals YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2009-09-10 — — US disclosed
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