SCHEMBL9640448

SCHEMBL9640448

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
ABCG2 Q9UNQ0 2/20 0.32
SERPINE1 P05121 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C19 P33261 2/20 0.31
ABCB1 P08183 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
HPGDS O60760 1/20 0.30

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
SCHEMBL9640394 0.93 ACACB (0.38) SLC7A5CA12CA1CA2CA9
SCHEMBL9069963 0.82 KDM4E (0.49) CA12CA1CA2CA9CA14
SCHEMBL9641687 0.80 ACACB (0.39) SLC7A5CA12CA1CA2CA9
SCHEMBL9641312 0.77 ACACB (0.42) SLC7A5CA12CA1CA2CA9
SCHEMBL1424907 0.77 SLC7A5 (0.38) SLC7A5CA12CA1CA2CA9
SCHEMBL8909201 0.76 KDM4E (0.42) CA12CA1CA2CA9CA14
SCHEMBL9640468 0.76 ACACB (0.36) SLC7A5CA12CA1CA2CA9
SCHEMBL15876193 0.75 SLC7A5 (0.46) SLC7A5CA12CA1CA2CA9
SCHEMBL20241781 0.75 SLC7A5 (0.46) SLC7A5CA12CA1CA2CA9
SCHEMBL3219189 0.73 SLC7A5 (0.42) SLC7A5CA12CA1CA2CA9

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
EP-0360820-B1 OLIGOBIPYRIDINE LIGANDS, PROCESS FOR OBTAINING THEM AND APPLICATION AS COMPLEXING AGENTS CIS BIO INTERNATIONAL (FR) 1992-08-19 EP disclosed
EP-0360820-A1 OLIGOBIPYRIDINE LIGANDS, PROCESS FOR OBTAINING THEM AND APPLICATION AS COMPLEXING AGENTS. ORIS SA (FR) 1990-04-04 EP disclosed
WO-1988008419-A1 OLIGOBIPYRIDINE LIGANDS, PROCESS FOR OBTAINING THEM AND APPLICATION AS COMPLEXING AGENTS COMPAGNIE ORIS INDUSTRIE S.A. (FR) 1988-11-03 WO disclosed