SCHEMBL11340818

SCHEMBL11340818

O=c1[nH]c2ccc(Br)cc2n1-c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT2 P31751 1/20 0.56
▸ CLK2 P49760 1/20 0.56
▸ DYRK1A Q13627 1/20 0.56
▸ CLK4 Q9HAZ1 1/20 0.56
▸ AURKA O14965 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ PGR P06401 1/20 0.40

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
SCHEMBL3831898 0.91 AKT2 (0.51) AKT2CLK2DYRK1ACLK4AURKA
SCHEMBL15396404 0.90 MEN1 (0.55) AKT2CLK2DYRK1ACLK4AURKA
SCHEMBL22191299 0.89 AKT2 (0.52) AKT2CLK2DYRK1ACLK4AURKA
SCHEMBL11351869 0.87 AKT2 (0.51) AKT2CLK2DYRK1ACLK4AURKA
SCHEMBL11356816 0.87 ATM (0.52) AKT2CLK2DYRK1ACLK4HSD17B10
SCHEMBL9994946 0.83 HTT (0.56) AURKAOPRM1KMT2AMEN1L3MBTL1
SCHEMBL22191531 0.80 MAOB (0.44) AKT2CLK2DYRK1ACLK4AURKA
SCHEMBL22191252 0.79 AKT2 (0.47) AKT2CLK2DYRK1ACLK4AURKA
SCHEMBL3010228 0.78 MAPT (0.50) AKT2CLK2DYRK1ACLK4AURKA
SCHEMBL15396849 0.77 MEN1 (0.68) AURKAHSD17B10OPRM1KMT2AMEN1

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
Send feedback