Dioxane

Dioxane

SCHEMBL28097100

C1COCCO1.c1ccncc1.c1ccncc1

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
NAPRT Q6XQN6 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
TTR P02766 1/20 0.40
LMNA P02545 4/20 0.35
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
NOTUM Q6P988 1/20 0.30
MAPK1 P28482 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
Dioxane SCHEMBL262902 1.00 TSHR (0.60) TSHRNAPRTTDP1TTRLMNA
Pyridine SCHEMBL9703021 0.97
Pyridine SCHEMBL6517120 0.88 TSHR (0.53) TSHRNAPRTTDP1
Pyridine SCHEMBL845238 0.88 TSHR (0.53) TSHRNAPRTTDP1
Pyridine SCHEMBL3867441 0.88 TSHR (0.53) TSHRNAPRTTDP1
Pyridine SCHEMBL27708567 0.88 TSHR (0.53) TSHRNAPRTTDP1
Pyridine SCHEMBL8505767 0.88 TSHR (0.53) TSHRNAPRTTDP1
Pyridine SCHEMBL1546704 0.85 TSHR (0.50) TSHRNAPRTTDP1
Pyridine SCHEMBL3446743 0.85 TSHR (0.50) TSHRNAPRTTDP1
Pyridine SCHEMBL22472321 0.85 TSHR (0.50) TSHRNAPRTTDP1

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-102249548-B Comprise compositions and the heat ray-shielding material of flat metal granule 富士胶片株式会社 2016-08-10 CN disclosed