SCHEMBL5036353

SCHEMBL5036353

O=S(=O)(Oc1ccc2[nH][c]nc2c1)c1ccc(NC2CCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 13/20 0.38
ENPP1 P22413 11/20 0.38
ENPP2 Q13822 10/20 0.38
HTR6 P50406 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL6017758 0.80 ABL1 (0.39) ENPP3ENPP1ENPP2HTR6MAPT
SCHEMBL27657636 0.78 AKR1C3 (0.41) ENPP3ENPP1ENPP2HTTLMNA
SCHEMBL5037857 0.76 ENPP3 (0.40) ENPP3ENPP1ENPP2HTR6
SCHEMBL6018023 0.76 IDO1 (0.43) ENPP3ENPP1ENPP2HTR6MAPT
SCHEMBL5042961 0.75 HTR6 (0.45) HTR6HTTLMNA
SCHEMBL5036480 0.75 NPC1 (0.53) ENPP3ENPP1ENPP2MAPTHTT
SCHEMBL5042870 0.75 ENPP3 (0.48) ENPP3ENPP1ENPP2
SCHEMBL5033423 0.75 ENPP3 (0.40) ENPP3ENPP1ENPP2HTR6MAPT
SCHEMBL5041053 0.74 NPC1 (0.52) ENPP3ENPP1ENPP2MAPTHTT
SCHEMBL5035960 0.74 ENPP3 (0.39) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432417-B1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2008-02-20 EP disclosed
EP-1432417-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER Aventis Pharma S.A. (FR) 2004-06-30 EP disclosed
WO-2003028721-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA S.A. (FR) 2003-04-10 WO disclosed
EP-1298125-A1 Substituted benzimidazole compounds and their use for the treatment of cancer Aventis Pharma S.A. (FR) 2003-04-02 EP disclosed