SCHEMBL7141882

SCHEMBL7141882

NC(=O)NN(c1nc2cc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)ccc2[nH]1)C1CCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 15/20 0.36
ENPP1 P22413 13/20 0.36
ENPP2 Q13822 10/20 0.36
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33

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
SCHEMBL7145205 0.87 ENPP3 (0.36) ENPP3ENPP1ENPP2MAPTHTT
SCHEMBL5037793 0.87 ENPP3 (0.39) ENPP3ENPP1ENPP2MAPTHTT
SCHEMBL7142590 0.86 HTR6 (0.37) ENPP3ENPP1ENPP2MAPTHTT
SCHEMBL7147110 0.86 MEN1 (0.36) ENPP3ENPP1ENPP2MAPTHTT
SCHEMBL5040705 0.85 ENPP3 (0.36) ENPP3ENPP1ENPP2MAPTHTT
SCHEMBL7163606 0.84 ENPP3 (0.35) ENPP3ENPP1ENPP2MAPTHTT
SCHEMBL7139375 0.84 ENPP3 (0.37) ENPP3ENPP1ENPP2
SCHEMBL7141760 0.84 ROCK2 (0.33) ENPP3ENPP1ENPP2MAPTHTT
SCHEMBL5035960 0.83 ENPP3 (0.39) ENPP3ENPP1ENPP2MAPTHTT
SCHEMBL7148415 0.83 MAPT (0.36) ENPP3ENPP1ENPP2MAPTHTT

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
EP-1298125-A1 Substituted benzimidazole compounds and their use for the treatment of cancer Aventis Pharma S.A. (FR) 2003-04-02 EP disclosed