SCHEMBL4551750

SCHEMBL4551750

CCc1ccc(Cn2cnc3cc(C(F)(F)F)cc(O[C@@]4(O)[C@H](O)O[C@@H](CO)[C@H](O)[C@H]4O)c32)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 7/20 0.35
▸ SLC5A1 P13866 1/20 0.32
▸ SLC29A1 Q99808 3/20 0.32
▸ TACR1 P25103 1/20 0.31
▸ CSF1R P07333 1/20 0.30
▸ QPCT Q16769 1/20 0.30
▸ QPCTL Q9NXS2 1/20 0.30

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
SCHEMBL3411369 1.00 SLC5A2 (0.35) SLC5A2SLC5A1SLC29A1TACR1CSF1R
SCHEMBL4551749 1.00 SLC5A2 (0.35) SLC5A2SLC5A1SLC29A1TACR1CSF1R
SCHEMBL3411368 1.00 SLC5A2 (0.35) SLC5A2SLC5A1SLC29A1TACR1CSF1R
SCHEMBL3413240 0.88 SLC5A2 (0.34) SLC5A2SLC5A1SLC29A1
SCHEMBL4412796 0.88 SLC5A2 (0.34) SLC5A2SLC5A1SLC29A1
SCHEMBL3409047 0.88 SLC5A2 (0.34) SLC5A2SLC5A1SLC29A1
SCHEMBL3409039 0.88 SLC5A2 (0.34) SLC5A2SLC5A1SLC29A1
SCHEMBL4420233 0.87 SLC5A2 (0.35) SLC5A2SLC5A1SLC29A1CSF1R
SCHEMBL3410151 0.87 SLC5A2 (0.35) SLC5A2SLC5A1SLC29A1CSF1R
SCHEMBL4420237 0.87 SLC5A2 (0.35) SLC5A2SLC5A1SLC29A1CSF1R

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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