Dioxane

Dioxane

SCHEMBL28087350

C1COCCO1.c1cc[nH]c1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.43
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 3/20 0.35
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.30
CYP2C9 P11712 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
Pyrrole SCHEMBL18339868 0.96
Pyrrole SCHEMBL29867603 0.93
Tetrahydrofuran SCHEMBL2148282 0.87 ALDH1A1 (0.50) ALDH1A1
Pyrrole SCHEMBL2977186 0.87
Pyrrole SCHEMBL27352233 0.84 ALDH1A1 (0.47) ALDH1A1
Morpholine SCHEMBL9049013 0.82 MEN1 (0.58) MEN1KMT2AKDM4EGAACYP2C9
Pyrrole SCHEMBL28200279 0.82 ALDH1A1 (0.44) ALDH1A1
Pyrrole SCHEMBL4758278 0.80
Pyrrole SCHEMBL29229959 0.80
Pyrrole SCHEMBL27477447 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103249732-B The bacterial topoisomerase II of suppression 2-ethyl carbamyl amino-1,3-benzothiazole-5-base 生物区欧洲有限公司 2016-08-10 CN disclosed