1,6-Hexanediol

1,6-Hexanediol

SCHEMBL6849068

O=C=NCCCCCCN=C=O.O=C=Nc1cccc2c(N=C=O)cccc12.OCCCCCCO.OCCOCCO

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
MIF P14174 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CNR2 P34972 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
1,6-Hexanediol SCHEMBL7029490 0.91 CYP3A4 (0.39) CYP3A4MIF
SCHEMBL7857389 0.88
SCHEMBL28070263 0.85 CYP3A4 (0.46) CYP3A4MIF
SCHEMBL3814088 0.83 CYP3A4 (0.47) CYP3A4MIF
SCHEMBL9195080 0.77 CYP3A4 (0.50) CYP3A4
Alpha-Naphthylisocyanate SCHEMBL28223340 0.73 CYP3A4 (0.45) CYP3A4
SCHEMBL719741 0.71 CYP3A4 (0.69) CYP3A4MIF
1,5-Pentanediol SCHEMBL23530163 0.70 MIF (0.58) MIFMEN1KMT2A
SCHEMBL4533760 0.70 MIF (0.58) MIFMEN1KMT2A
SCHEMBL4528851 0.70 MIF (0.58) MIFMEN1KMT2A

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-1467976-A1 N-PYRAZINYL-PHENYLSULPHONAMIDES AND THEIR USE IN THE TREATMENT OF CHEMOKINE MEDIATED DISEASES AstraZeneca AB (SE) 2004-10-20 EP disclosed
US-6734225-B2 DISPERSION OF OIL-SOLUBLE DYE PARTICLES BASED ON A PYRAZOLO-(5,1-C)-S-TRIAZOLE OR PYRAZOLO(1,5-B) RING; STABILITY; COLORFASTNESS; WATERPROOFING; REPRODUCTION, ESPECIALLY MAGENTA; PRINTING ON PAPER; ANTIFOULING AGENTS FUJI PHOTO FILM CO., LTD. (JP) 2004-05-11 US disclosed
WO-2003059893-A1 N-PYRAZINYL-PHENYLSULPHONAMIDES AND THEIR USE IN THE TREATMENT OF CHEMOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-07-24 WO disclosed