SCHEMBL2053560

SCHEMBL2053560

Cn1c(C2CN(C(=O)O)C2)nc2cc(Br)ccc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 1/20 0.38
CACNA2D1 P54289 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
MPO P05164 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL6922470 0.85 USP30 (0.43)
SCHEMBL6921999 0.80 CACNA2D1 (0.40) PARGCACNA2D1HDAC1HDAC6HDAC3
SCHEMBL6920648 0.80 CACNA2D1 (0.40) PARGCACNA2D1HDAC1HDAC6ALDH1A1
SCHEMBL2050602 0.76 PARG (0.38) PARGCACNA2D1ALDH1A1USP2MPO
SCHEMBL6920644 0.76 PARG (0.38) PARGCACNA2D1HDAC1HDAC6HDAC3
SCHEMBL2052247 0.76 POLB (0.47) NPC1RAB9A
SCHEMBL2054042 0.75 CDC7 (0.45) HRH4
SCHEMBL6922231 0.74 CACNA2D1 (0.39) PARGCACNA2D1HDAC1HDAC6HDAC3
SCHEMBL2037185 0.74 TAAR1 (0.52) PARGCACNA2D1HDAC1HDAC6HDAC3
SCHEMBL6921189 0.74 DHFR (0.41) CACNA2D1ALDH1A1USP2NPC1RAB9A

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
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 WO disclosed