SCHEMBL806747

SCHEMBL806747

CC1(C)OB(c2ccc(N3CCCCC3)cc2Cl)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 6/20 0.41
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
ALOX15 P16050 3/20 0.41
S100B P04271 2/20 0.41
GAA P10253 2/20 0.41
HTT P42858 2/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GFER P55789 1/20 0.40
TERT O14746 2/20 0.37
ADRB1 P08588 1/20 0.37
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL789720 0.87 LGMN (0.44) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL24511910 0.87 MAPT (0.44) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL790345 0.85 HPGD (0.44) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL24681526 0.84 MAPT (0.40) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL15753571 0.82 ALDH1A1 (0.37) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL44787 0.82 MAPT (0.51) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL790815 0.82 ALDH1A1 (0.48) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL20836396 0.81 MAPT (0.40) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL24847183 0.80 SUV39H2 (0.38) LMNASMN1; SMN2MAPTL3MBTL1GAA
SCHEMBL30180207 0.80 SUV39H2 (0.38) LMNASMN1; SMN2MAPTL3MBTL1GAA

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
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed