SCHEMBL7147110

SCHEMBL7147110

NC(=O)NN(c1ccc(Cl)cc1)c1nc2cc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)ccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR6 P50406 2/20 0.34
ENPP1 P22413 9/20 0.33
ENPP3 O14638 9/20 0.33
ENPP2 Q13822 7/20 0.33
FAAH O00519 1/20 0.33
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL7142590 0.92 HTR6 (0.37) HTR6ENPP1ENPP3ENPP2MAPT
SCHEMBL7141760 0.92 ROCK2 (0.33) HTR6ENPP1ENPP3ENPP2FAAH
SCHEMBL7139375 0.87 ENPP3 (0.37) HTR6ENPP1ENPP3ENPP2
SCHEMBL7148415 0.87 MAPT (0.36) MEN1KMT2AHTR6ENPP1ENPP3
SCHEMBL7141882 0.86 ENPP3 (0.36) ENPP1ENPP3ENPP2MAPTHTT
SCHEMBL7163606 0.85 ENPP3 (0.35) MEN1KMT2AENPP1ENPP3ENPP2
SCHEMBL5037793 0.83 ENPP3 (0.39) ENPP1ENPP3ENPP2MAPTHTT
SCHEMBL7145205 0.81 ENPP3 (0.36) ENPP1ENPP3ENPP2MAPTHTT
SCHEMBL5040705 0.81 ENPP3 (0.36) MEN1KMT2AENPP1ENPP3ENPP2
SCHEMBL5035960 0.80 ENPP3 (0.39) ENPP1ENPP3ENPP2MAPTHTT

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