SCHEMBL7153169

SCHEMBL7153169

Brc1cc(Br)c2c(c1)C(NCCCNc1nc3ccccc3[nH]1)CCN2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.68
MARS1 P56192 1/20 0.64
BCHE P06276 1/20 0.45
TRPC3 Q13507 1/20 0.45
TRPC4 Q9UBN4 1/20 0.45
TRPC5 Q9UL62 1/20 0.45

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
SCHEMBL179033 1.00 SLC2A1 (0.68) SLC2A1MARS1BCHETRPC3TRPC4
SCHEMBL7209605 0.87 MARS1 (0.72) SLC2A1MARS1
SCHEMBL179036 0.87 SLC2A1 (0.87) SLC2A1MARS1
SCHEMBL6708214 0.87 SLC2A1 (0.87) SLC2A1MARS1
Hydrochloric Acid SCHEMBL5374917 0.86 SLC2A1 (0.86) SLC2A1MARS1
SCHEMBL179030 0.81 SLC2A1 (0.60) SLC2A1MARS1
SCHEMBL179023 0.80 MARS1 (0.66) SLC2A1MARS1BCHETRPC3TRPC4
SCHEMBL7153458 0.80 MARS1 (0.66) SLC2A1MARS1BCHETRPC3TRPC4
SCHEMBL178920 0.79 MARS1 (0.63) SLC2A1MARS1
SCHEMBL178923 0.79 MARS1 (0.63) SLC2A1MARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003500395-A 2003-01-07 JP claimed
WO-2000071522-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS METHIONYL T-RNA SYNTHETASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-11-30 WO claimed