SCHEMBL790345

SCHEMBL790345

Cc1cc(N2CCCCC2)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
MAPT P10636 10/20 0.41
MEN1 O00255 9/20 0.41
KMT2A Q03164 9/20 0.41
ALDH1A1 P00352 9/20 0.41
MAPK1 P28482 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
GAA P10253 4/20 0.41
ALOX15 P16050 4/20 0.41
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
S100B P04271 2/20 0.41
HTT P42858 2/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TNNI3 P19429 1/20 0.39
TNNT2 P45379 1/20 0.39

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
SCHEMBL789351 0.87 MAPT (0.47) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL20836396 0.87 MAPT (0.40) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL806747 0.85 MEN1 (0.42) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL24681526 0.84 MAPT (0.40) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL24511350 0.83 GAA (0.58) MAPTKMT2AGAASMN1; SMN2KDM4E
SCHEMBL44787 0.82 MAPT (0.51) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL790815 0.82 ALDH1A1 (0.48) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL18372265 0.81 GAA (0.35) MAPTALDH1A1GAAADRB1GFER
SCHEMBL15753571 0.79 ALDH1A1 (0.37) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL30768491 0.79 GAA (0.33) MAPTGAAADRB1RAD52

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