SCHEMBL17166106

SCHEMBL17166106

Cn1nc(Br)cc1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
MAPT P10636 2/20 0.35
PLAT P00750 1/20 0.34
GABRG2 P18507 5/20 0.34
GABRB3 P28472 5/20 0.34
GABRA5 P31644 5/20 0.34
GABRA1 P14867 4/20 0.34
GABRA3 P34903 3/20 0.34
GABRA2 P47869 3/20 0.34
GABRA6 Q16445 3/20 0.34
GABRB2 P47870 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL27815924 0.81 ALDH1A1 (0.42) KDM4EGRNSORT1MAPTPLAT
SCHEMBL22290279 0.81 CA12 (0.45) KDM4EGRNSORT1MAPTMEN1
SCHEMBL17796531 0.80 KDM4E (0.40) KDM4EGRNSORT1MAPTPLAT
SCHEMBL26036174 0.79 MEN1 (0.38) KDM4EGRNSORT1MAPTMEN1
SCHEMBL26036175 0.79 KDM4E (0.35) KDM4EGRNSORT1MAPTMEN1
SCHEMBL30481759 0.78 JMJD6 (0.37) KDM4EMAPTGABRG2GABRB3GABRA5
SCHEMBL27163039 0.78 MEN1 (0.39) KDM4EGRNSORT1MAPTPLAT
SCHEMBL27166400 0.78 GRN (0.41) KDM4EGRNSORT1MAPTPLAT
SCHEMBL25216124 0.77 POLB (0.45) MEN1KMT2ARXFP1CYP2C9CYP2C19
SCHEMBL20269905 0.77 LMNA (0.50) KDM4EMAPTMEN1KMT2ANPC1

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-9156858-B2 Boronic acid derivatives and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed