SCHEMBL4416146

SCHEMBL4416146

OC[C@@H]1O[C@@H](O)[C@](O)(Oc2cccc3ncn(Cc4ccc(-c5ccccc5)cc4)c23)[C@H](O)[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 3/20 0.41
▸ CYP11B2 P19099 3/20 0.41
▸ SLC5A2 P31639 6/20 0.41
▸ SLC5A1 P13866 1/20 0.41
▸ SLC28A2 O43868 1/20 0.33
▸ OGA O60502 1/20 0.32
▸ TNF P01375 1/20 0.32

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
SCHEMBL4416143 1.00 CYP11B1 (0.41) CYP11B1CYP11B2SLC5A2SLC5A1SLC28A2
SCHEMBL3407262 1.00 CYP11B1 (0.41) CYP11B1CYP11B2SLC5A2SLC5A1SLC28A2
SCHEMBL3407267 1.00 CYP11B1 (0.41) CYP11B1CYP11B2SLC5A2SLC5A1SLC28A2
SCHEMBL4411204 0.92 SLC5A2 (0.41) CYP11B1CYP11B2SLC5A2SLC5A1SLC28A2
SCHEMBL3407881 0.92 SLC5A2 (0.41) CYP11B1CYP11B2SLC5A2SLC5A1SLC28A2
SCHEMBL3407883 0.92 SLC5A2 (0.41) CYP11B1CYP11B2SLC5A2SLC5A1SLC28A2
SCHEMBL4411202 0.92 SLC5A2 (0.41) CYP11B1CYP11B2SLC5A2SLC5A1SLC28A2
SCHEMBL3407894 0.90 SLC5A2 (0.41) SLC5A2SLC5A1
SCHEMBL3407900 0.90 SLC5A2 (0.41) SLC5A2SLC5A1
SCHEMBL3410079 0.90 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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