Butane

Butane

SCHEMBL27616613

CCCC.CN1C=CC=CC=C1

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL23234265 0.86 MEN1 (0.41) MEN1KMT2ATDP1
SCHEMBL9673094 0.86
SCHEMBL27694695 0.76 MEN1 (0.35) MEN1KMT2ATDP1
SCHEMBL1375028 0.71 ALDH1A1 (0.35) MEN1KMT2A
SCHEMBL24525602 0.71 ALDH1A1 (0.35) MEN1KMT2A
SCHEMBL1034893 0.69
SCHEMBL4272349 0.65 ALDH1A1 (0.35) MEN1KMT2ATDP1
SCHEMBL13975662 0.62
Butane SCHEMBL27976357 0.59
Butane SCHEMBL28310635 0.59

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-1714084-A Pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER PROD INC (US) 2005-12-28 CN disclosed