SCHEMBL9069963

SCHEMBL9069963

COC(=O)c1cc(CBr)nc(-c2cc(C(=O)OC)cc(CBr)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA7 P43166 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ LMNA P02545 2/20 0.43
▸ XDH P47989 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ FUT7 Q11130 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM6B O15054 1/20 0.41

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
SCHEMBL8909201 0.92 KDM4E (0.42) KDM4EALDH1A1CA12CA1CA2
SCHEMBL5203591 0.91 KDM4E (0.53) KDM4EALDH1A1CA12CA1CA2
SCHEMBL17789604 0.85 KDM4E (0.47) KDM4EALDH1A1CA12CA1CA2
SCHEMBL2718011 0.83 ALDH1A1 (0.47) KDM4EALDH1A1CA12CA1CA2
SCHEMBL31347123 0.83 ALDH1A1 (0.47) KDM4EALDH1A1CA12CA1CA2
SCHEMBL9069519 0.83 KDM4E (0.49) KDM4EALDH1A1CA12CA1CA2
SCHEMBL9640448 0.82 SLC7A5 (0.35) KDM4EALDH1A1CA12CA1CA2
SCHEMBL25189286 0.79 PTPN11 (0.54) KDM4EALDH1A1LMNATDP1POLB
SCHEMBL12837985 0.77 KDM4E (0.58) KDM4EALDH1A1CA12CA1CA2
SCHEMBL9640394 0.76 ACACB (0.38) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106432070-A Preparation method of dimethyl 6,6'-bis(bromomethyl)-[2,2'-bipyridine]-4,4'-dicarboxylate 上海应用技术大学 2017-02-22 — — CN disclosed
CN-106432070-A Preparation method of dimethyl 6,6'-bis(bromomethyl)-[2,2'-bipyridine]-4,4'-dicarboxylate 上海应用技术大学 2017-02-22 — — CN disclosed
WO-2010070232-A1 NOVEL RARE EARTH ELEMENT CRYPTATES INCLUDING A TETRAAZATRIPHENYLENE UNIT CIS BIO INTERNATIONAL (FR) 2010-06-24 — — WO disclosed
US-5534622-A Rare earth cryptates, processes for their preparation, synthesis intermediates and application as fluorescent tracers COMPAGNIE ORIS INDUSTRIE, SA (FR) 1996-07-09 — — US disclosed
US-5457185-A Rare earth cryptates, processes for their preparation, synthesis intermediates and application as fluorescent tracers SOCIETE ANONYME: COMPAGNIE ORIS INDUSTRIE (FR) 1995-10-10 — — US disclosed
US-5346996-A Rare earth cryptates, processes for their preparation, synthesis intermediates and application as fluorescent tracers COMPAGNIE ORIS INDUSTRIE (FR) 1994-09-13 — — US disclosed
US-5162508-A Rare earth cryptates, processes for their preparation, synthesis intermediates and application as fluorescent tracers COMPAGNIE ORIS INDUSTRIE (FR) 1992-11-10 — — US disclosed
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