SCHEMBL7153458

SCHEMBL7153458

CCc1cc(I)c2c(c1)C(NCCCNc1nc3ccccc3[nH]1)CCN2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 2/20 0.66
SLC2A1 P11166 2/20 0.50
BCHE P06276 1/20 0.47
TRPC3 Q13507 1/20 0.47
TRPC4 Q9UBN4 1/20 0.47
TRPC5 Q9UL62 1/20 0.47
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL179023 1.00 MARS1 (0.66) MARS1SLC2A1BCHETRPC3TRPC4
SCHEMBL178927 0.88 MARS1 (0.74) MARS1SLC2A1
SCHEMBL10069526 0.88 MARS1 (0.62) MARS1SLC2A1BCHETRPC3TRPC4
Hydrochloric Acid SCHEMBL5385186 0.87 MARS1 (0.61) MARS1SLC2A1
SCHEMBL179032 0.82 MARS1 (0.58) MARS1SLC2A1
SCHEMBL179033 0.80 SLC2A1 (0.68) MARS1SLC2A1BCHETRPC3TRPC4
SCHEMBL7153169 0.80 SLC2A1 (0.68) MARS1SLC2A1BCHETRPC3TRPC4
SCHEMBL178879 0.79 MARS1 (1.00) MARS1
SCHEMBL178877 0.79 MARS1 (1.00) MARS1
Hydrochloric Acid SCHEMBL8187959 0.79 MARS1 (0.98) MARS1

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