SCHEMBL7044880

SCHEMBL7044880

O=C(Nc1nc2cc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)ccc2[nH]1)c1ccncc1.O=C(Nc1nc2cc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)ccc2[nH]1)c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 9/20 0.40
ENPP1 P22413 9/20 0.40
ENPP2 Q13822 6/20 0.40
TRPV1 Q8NER1 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL5033466 1.00 ENPP3 (0.40) ENPP3ENPP1ENPP2TRPV1NPC1
SCHEMBL5040967 0.92 NPC1 (0.46) ENPP3ENPP1ENPP2TRPV1NPC1
SCHEMBL5037738 0.87 GRM4 (0.47) ENPP3ENPP1ENPP2TRPV1NPC1
SCHEMBL5043133 0.86 NAMPT (0.50)
SCHEMBL5042870 0.86 ENPP3 (0.48) ENPP3ENPP1ENPP2NPC1RAB9A
SCHEMBL5036480 0.86 NPC1 (0.53) ENPP3ENPP1ENPP2NPC1RAB9A
SCHEMBL5037777 0.85 ENPP3 (0.52) ENPP3ENPP1ENPP2NPC1RAB9A
SCHEMBL5041053 0.85 NPC1 (0.52) ENPP3ENPP1ENPP2NPC1RAB9A
SCHEMBL5033714 0.85 NPC1 (0.54) ENPP3ENPP1ENPP2NPC1RAB9A
SCHEMBL5037862 0.85 NPC1 (0.52) ENPP3ENPP1ENPP2NPC1RAB9A

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