SCHEMBL7049092

SCHEMBL7049092

CC(C)NCCNc1ccc(S(=O)(=O)Oc2ccc3[nH]c(NC(=O)C4CC4)nc3c2)cc1.O=C(Nc1nc2cc(OS(=O)(=O)c3ccc(N4CCCCC4CCO)cc3)ccc2[nH]1)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 15/20 0.37
ENPP1 P22413 13/20 0.37
ENPP2 Q13822 10/20 0.37
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL5036686 0.91 SMN1; SMN2 (0.41) ENPP3ENPP1ENPP2NPC1POLB
SCHEMBL5037680 0.88 ENPP3 (0.44) ENPP3ENPP1ENPP2NPC1POLB
SCHEMBL5036477 0.83 SMN1; SMN2 (0.42) ENPP3ENPP1ENPP2NPC1POLB
SCHEMBL5040851 0.82 SMN1; SMN2 (0.46) ENPP3ENPP1ENPP2NPC1POLB
SCHEMBL5037853 0.82 TERT (0.42) ENPP3ENPP1ENPP2MAPTSMN1; SMN2
SCHEMBL5036151 0.81 SMN1; SMN2 (0.40) ENPP3ENPP1ENPP2NPC1POLB
SCHEMBL5036583 0.80 SMN1; SMN2 (0.43) ENPP3ENPP1ENPP2NPC1POLB
SCHEMBL5042929 0.80 SMN1; SMN2 (0.44) ENPP3ENPP1ENPP2NPC1POLB
SCHEMBL5033505 0.80 SMN1; SMN2 (0.44) ENPP3ENPP1ENPP2NPC1POLB
SCHEMBL5036234 0.80 SMN1; SMN2 (0.42) ENPP3ENPP1ENPP2MAPTNPC1

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
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