SCHEMBL4411204

SCHEMBL4411204

OC[C@@H]1O[C@@H](O)[C@](O)(Oc2cccc3ncn(Cc4ccc(-c5cccnc5)cc4)c23)[C@H](O)[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 4/20 0.41
▸ SLC5A1 P13866 2/20 0.41
▸ SLC28A2 O43868 1/20 0.36
▸ ADORA3 P0DMS8 2/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ CD99 P14209 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ NT5E P21589 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ UGCG Q16739 1/20 0.33
▸ GBA2 Q9HCG7 1/20 0.33
▸ GRM2 Q14416 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ TEK Q02763 1/20 0.31

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
SCHEMBL3407883 1.00 SLC5A2 (0.41) SLC5A2SLC5A1SLC28A2ADORA3ADORA2A
SCHEMBL3407881 1.00 SLC5A2 (0.41) SLC5A2SLC5A1SLC28A2ADORA3ADORA2A
SCHEMBL4411202 1.00 SLC5A2 (0.41) SLC5A2SLC5A1SLC28A2ADORA3ADORA2A
SCHEMBL3407262 0.92 CYP11B1 (0.41) SLC5A2SLC5A1SLC28A2CYP11B1CYP11B2
SCHEMBL3407267 0.92 CYP11B1 (0.41) SLC5A2SLC5A1SLC28A2CYP11B1CYP11B2
SCHEMBL4416146 0.92 CYP11B1 (0.41) SLC5A2SLC5A1SLC28A2CYP11B1CYP11B2
SCHEMBL4416143 0.92 CYP11B1 (0.41) SLC5A2SLC5A1SLC28A2CYP11B1CYP11B2
SCHEMBL3410079 0.86 SLC5A2 (0.41) SLC5A2SLC5A1
SCHEMBL3407894 0.86 SLC5A2 (0.41) SLC5A2SLC5A1
SCHEMBL3407900 0.86 SLC5A2 (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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