SCHEMBL7045219

SCHEMBL7045219

NC(=O)CNc1ccc(S(=O)(=O)Oc2ccc3[nH]c(NC(=O)C4CC4)nc3c2)cc1.O=C(Nc1nc2cc(OS(=O)(=O)c3ccc(N4CCC(O)CC4)cc3)ccc2[nH]1)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
ABL1 P00519 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 2/20 0.38
ENPP3 O14638 9/20 0.36
ENPP1 P22413 8/20 0.36
ENPP2 Q13822 6/20 0.36
PTGDR Q13258 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PDPK1 O15530 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL5037629 0.91 ABL1 (0.46) MAPTABL1SMN1; SMN2LMNAHPGD
SCHEMBL5043029 0.91 SMN1; SMN2 (0.45) SMN1; SMN2POLBENPP3ENPP1ENPP2
SCHEMBL7045175 0.90 MAPT (0.43) MAPTSMN1; SMN2LMNAHPGDPOLB
SCHEMBL5037647 0.86 SMN1; SMN2 (0.44) MAPTABL1SMN1; SMN2LMNAPOLB
SCHEMBL5033857 0.86 ABL1 (0.47) MAPTABL1SMN1; SMN2POLBENPP3
SCHEMBL5033793 0.85 SMN1; SMN2 (0.47) ABL1SMN1; SMN2POLBENPP3ENPP1
SCHEMBL5033727 0.84 SMN1; SMN2 (0.47) ABL1SMN1; SMN2POLBENPP3ENPP1
SCHEMBL5036783 0.84 SMN1; SMN2 (0.44) MAPTABL1SMN1; SMN2POLBENPP3
SCHEMBL5035919 0.84 SMN1; SMN2 (0.44) MAPTABL1SMN1; SMN2POLBENPP3
SCHEMBL5036605 0.84 SMN1; SMN2 (0.46) SMN1; SMN2POLBENPP3ENPP1ENPP2

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