SCHEMBL11351869

SCHEMBL11351869

O=c1[nH]c2ccc(Br)cc2n1-c1ccc(Br)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT2 P31751 1/20 0.51
▸ CLK2 P49760 1/20 0.51
▸ DYRK1A Q13627 1/20 0.51
▸ CLK4 Q9HAZ1 1/20 0.51
▸ AURKA O14965 3/20 0.42
▸ OPRM1 P35372 1/20 0.38
▸ NTRK1 P04629 1/20 0.37
▸ NTRK3 Q16288 1/20 0.37
▸ NTRK2 Q16620 1/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL11340818 0.87 AKT2 (0.56) AKT2CLK2DYRK1ACLK4AURKA
SCHEMBL11349008 0.85 DAO (0.51) AKT2CLK2DYRK1ACLK4AURKA
SCHEMBL3831898 0.82 AKT2 (0.51) AKT2CLK2DYRK1ACLK4AURKA
SCHEMBL29437803 0.81 MEN1 (0.55) AKT2CLK2DYRK1ACLK4AURKA
SCHEMBL15396404 0.81 MEN1 (0.55) AKT2CLK2DYRK1ACLK4AURKA
SCHEMBL22191299 0.80 AKT2 (0.52) AKT2CLK2DYRK1ACLK4AURKA
SCHEMBL11356816 0.78 ATM (0.52) AKT2CLK2DYRK1ACLK4NTRK1
SCHEMBL11340994 0.75 DAO (0.50) AKT2CLK2DYRK1ACLK4AURKA
SCHEMBL28792116 0.75 AKT2 (0.43) AKT2CLK2DYRK1ACLK4AURKA
SCHEMBL29776027 0.75 AKT2 (0.43) AKT2CLK2DYRK1ACLK4AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4275215-A QUATERNARY AMMONIUM OR PHOSPHONIUM SALTS CATALYZE REACTION OF HYPOHALITE AND A DIPHENYL UREA DOW CHEMICAL COMPANY LIMITED (GB) 1981-06-23 — — US disclosed
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