SCHEMBL7202429

SCHEMBL7202429

CN(C)CCCNc1ccc(S(=O)(=O)Oc2ccc3[nH]c(NC(=O)C4CC4)nc3c2)cc1.NC(=O)[C@H]1CCCN1c1ccc(S(=O)(=O)Oc2ccc3[nH]c(NC(=O)C4CC4)nc3c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 12/20 0.35
ENPP1 P22413 10/20 0.35
ENPP2 Q13822 8/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 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
SCHEMBL5036503 0.89 SMN1; SMN2 (0.42) ENPP3ENPP1ENPP2SMN1; SMN2POLB
SCHEMBL5037872 0.89 SMN1; SMN2 (0.42) ENPP3ENPP1ENPP2SMN1; SMN2POLB
SCHEMBL5040663 0.89 SMN1; SMN2 (0.42) ENPP3ENPP1ENPP2SMN1; SMN2POLB
SCHEMBL5036884 0.84 SMN1; SMN2 (0.43) ENPP3ENPP1ENPP2SMN1; SMN2POLB
SCHEMBL5042929 0.81 SMN1; SMN2 (0.44) ENPP3ENPP1ENPP2SMN1; SMN2POLB
SCHEMBL5037583 0.81 ENPP3 (0.43) ENPP3ENPP1ENPP2SMN1; SMN2POLB
SCHEMBL5037874 0.81 SMN1; SMN2 (0.44) ENPP3ENPP1ENPP2SMN1; SMN2POLB
SCHEMBL5037835 0.80 ENPP3 (0.44) ENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL5040947 0.80 ENPP3 (0.44) ENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL5036401 0.80 ENPP3 (0.42) ENPP3ENPP1ENPP2SMN1; SMN2POLB

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