Butane

Butane

SCHEMBL6597442

CCCC.NCCCn1cnc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 10/20 0.59
MAPK12 P53778 10/20 0.59
MAPK11 Q15759 10/20 0.59
MAPK14 Q16539 10/20 0.59
MAP4K4 O95819 2/20 0.58
MAPK9 P45984 2/20 0.58
CSNK1A1 P48729 2/20 0.58
CSNK1D P48730 2/20 0.58
MAP4K5 Q9Y4K4 2/20 0.58
PRKD3 O94806 1/20 0.58
FRK P42685 1/20 0.58
GSK3B P49841 1/20 0.58
PRKD2 Q9BZL6 1/20 0.58
PTGS2 P35354 3/20 0.51
NSD3 Q9BZ95 1/20 0.49
BAZ2B Q9UIF8 1/20 0.44
BAZ2A Q9UIF9 1/20 0.44
LMNA P02545 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44

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
Butane SCHEMBL6598276 0.96 MAP4K4 (0.56) MAPK13MAPK12MAPK11MAPK14MAP4K4
Butane SCHEMBL6590914 0.94 MAP4K4 (0.55) MAPK13MAPK12MAPK11MAPK14MAP4K4
SCHEMBL6844336 0.94 MAPK14 (0.64) MAPK13MAPK12MAPK11MAPK14MAP4K4
SCHEMBL5093475 0.90 MAP4K4 (0.62) MAPK13MAPK12MAPK11MAPK14MAP4K4
SCHEMBL10441604 0.88 MAP4K4 (0.63) MAPK13MAPK12MAPK11MAPK14MAP4K4
SCHEMBL10801666 0.87 PRKD3 (0.62) MAPK13MAPK12MAPK11MAPK14MAP4K4
SCHEMBL14002179 0.85 PRKD3 (0.60) MAPK13MAPK12MAPK11MAPK14MAP4K4
SCHEMBL14288457 0.85 PRKD3 (0.60) MAPK13MAPK12MAPK11MAPK14MAP4K4
SCHEMBL10441819 0.85 PRKD3 (0.60) MAPK13MAPK12MAPK11MAPK14MAP4K4
SCHEMBL10615042 0.85 PTGS2 (0.59) MAPK13MAPK12MAPK11MAPK14MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385828-A1 COMPOUNDS OF THE FAMILY OF 3-ALKYL-(4,5 DIPHENY-IMIDAZOL-1-YL) AND THEIR USE AS SOOTHING AGENTS L'OREAL (FR) 2004-02-04 EP claimed
WO-2002085864-A1 COMPOUNDS OF THE FAMILY OF 3-ALKYL-(4,5 DIPHENY-IMIDAZOL-1-YL) AND THEIR USE AS SOOTHING AGENTS L'OREAL (FR) 2002-10-31 WO claimed
EP-1385828-A1 COMPOUNDS OF THE FAMILY OF 3-ALKYL-(4,5 DIPHENY-IMIDAZOL-1-YL) AND THEIR USE AS SOOTHING AGENTS L'OREAL (FR) 2004-02-04 EP disclosed
WO-2002085864-A1 COMPOUNDS OF THE FAMILY OF 3-ALKYL-(4,5 DIPHENY-IMIDAZOL-1-YL) AND THEIR USE AS SOOTHING AGENTS L'OREAL (FR) 2002-10-31 WO disclosed