SCHEMBL4414328

SCHEMBL4414328

CCOc1ccc(Cn2cnc3cccc(O[C@@]4(O)[C@H](O)O[C@@H](CO)[C@H](O)[C@H]4O)c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 18/20 0.40
▸ SLC5A1 P13866 6/20 0.40
▸ ADRA2A P08913 1/20 0.38
▸ SLC5A11 Q8WWX8 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 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
SCHEMBL4332323 1.00 SLC5A2 (0.40) SLC5A2SLC5A1ADRA2ASLC5A11LMNA
SCHEMBL4414321 1.00 SLC5A2 (0.40) SLC5A2SLC5A1ADRA2ASLC5A11LMNA
SCHEMBL4332319 1.00 SLC5A2 (0.40) SLC5A2SLC5A1ADRA2ASLC5A11LMNA
SCHEMBL4423604 0.92 SLC5A2 (0.41) SLC5A2SLC5A1
SCHEMBL3407894 0.92 SLC5A2 (0.41) SLC5A2SLC5A1
SCHEMBL3410079 0.92 SLC5A2 (0.41) SLC5A2SLC5A1
SCHEMBL3407900 0.92 SLC5A2 (0.41) SLC5A2SLC5A1
SCHEMBL4416146 0.88 CYP11B1 (0.41) SLC5A2SLC5A1
SCHEMBL3407262 0.88 CYP11B1 (0.41) SLC5A2SLC5A1
SCHEMBL3407267 0.88 CYP11B1 (0.41) SLC5A2SLC5A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1679966-A4 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 — — EP claimed
EP-1679966-A2 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-19 — — EP claimed
WO-2005012242-A2 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2005-02-10 — — WO claimed
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