Dioxane

Dioxane

SCHEMBL3787148

C1COCCO1.O=C1N=c2ccccc2=N1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 3/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
HTT P42858 1/20 0.41
GAA P10253 2/20 0.34
PRKDC P78527 3/20 0.33
ACE P12821 1/20 0.33
ECE1 P42892 1/20 0.33
POLB P06746 1/20 0.32
ELANE P08246 1/20 0.32
CXCR4 P61073 1/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
TP53 P04637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
APAF1 O14727 1/20 0.31
TDP2 O95551 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
SCHEMBL37950 0.84 MEN1 (0.35) SMN1; SMN2LMNAHTTGAAPOLB
SCHEMBL28072669 0.84 MEN1 (0.35) SMN1; SMN2LMNAHTTGAAPOLB
Hydrochloric Acid SCHEMBL4647777 0.82 APAF1 (0.33) SMN1; SMN2LMNAHTTPOLBNPC1
Water SCHEMBL11357123 0.82 APAF1 (0.33) SMN1; SMN2LMNAHTTPOLBNPC1
SCHEMBL27461562 0.82 APAF1 (0.33) SMN1; SMN2LMNAHTTPOLBNPC1
SCHEMBL640436 0.82 APAF1 (0.33) SMN1; SMN2LMNAHTTPOLBNPC1
SCHEMBL31241401 0.82 APAF1 (0.33) SMN1; SMN2LMNAHTTPOLBNPC1
Bromide SCHEMBL28523892 0.82 APAF1 (0.33) SMN1; SMN2LMNAHTTPOLBNPC1
Alcohol SCHEMBL28141224 0.71 APAF1 (0.32) ALDH1A1APAF1TDP2L3MBTL1
Piperidine SCHEMBL28749771 0.70 ALDH1A1 (0.36) SMN1; SMN2CXCR4ALDH1A1

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
JP-2010254835-A PIGMENT DISPERSANT TOYO INK MFG CO LTD 2010-11-11 JP disclosed