SCHEMBL7104085

SCHEMBL7104085

Clc1cc(Cl)c2cc(CNCCCNc3nc4ccccc4[nH]3)[nH]c2c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.66
MEN1 O00255 1/20 0.54
GFER P55789 1/20 0.54
KMT2A Q03164 1/20 0.54
KCNH2 Q12809 1/20 0.53
BCHE P06276 1/20 0.49
TRPC3 Q13507 1/20 0.49
TRPC4 Q9UBN4 1/20 0.49
TRPC5 Q9UL62 1/20 0.49
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL7209594 0.87 SLC2A1 (0.62) SLC2A1MEN1GFERKMT2AKCNH2
SCHEMBL5376778 0.85 SLC2A1 (0.57) SLC2A1MEN1GFERKMT2AKCNH2
SCHEMBL10069522 0.81 SLC2A1 (0.66) SLC2A1MEN1GFERKMT2AKCNH2
Hydrochloric Acid SCHEMBL5376732 0.80 SLC2A1 (0.61) SLC2A1MEN1GFERKMT2AKCNH2
Hydrochloric Acid SCHEMBL5379315 0.78 SLC2A1 (0.59) SLC2A1MEN1GFERKMT2AKCNH2
SCHEMBL6622297 0.78 SLC2A1 (0.50) SLC2A1BCHE
SCHEMBL8221201 0.78 SLC2A1 (0.54) SLC2A1MEN1GFERKMT2AKCNH2
SCHEMBL5669372 0.77 MARS1 (0.64) SLC2A1
SCHEMBL10069523 0.77 SLC2A1 (0.60) SLC2A1MEN1GFERKMT2AKCNH2
SCHEMBL8215088 0.77 SLC2A1 (1.00) SLC2A1MEN1GFERKMT2AKCNH2

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 3 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
WO-2000071522-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS METHIONYL T-RNA SYNTHETASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-11-30 WO disclosed