SCHEMBL7916645

SCHEMBL7916645

C=C(OC)c1ccc2cccc(-c3cccnc3OC)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
BTK Q06187 1/20 0.39
DHODH Q02127 1/20 0.38
PDE10A Q9Y233 3/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
KLK1 P06870 1/20 0.36
PRSS1 P07477 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL7913827 0.85 ALOX15 (0.36) DHODHALOX15HTTF2PLG
SCHEMBL16502454 0.85 HTT (0.54) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL7916646 0.84 DHODH (0.48) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL7916811 0.83 CCNT1 (0.40) HDAC8PDE10AALOX15HTTRAB9A
SCHEMBL7921982 0.78 HTR5A (0.45) HDAC6DHODHPDE10A
SCHEMBL7917796 0.75 PLAU (0.35) F2PLGPLAUPLATKLK1
SCHEMBL7919038 0.74 PLAU (0.36) F2PLGPLAUPLATKLK1
SCHEMBL7915719 0.74 RAB9A (0.40) NPC1RAB9ALMNAMAPT
SCHEMBL7911006 0.74 HDAC8 (0.40) HDAC6HDAC8PLAUNPC1RAB9A
SCHEMBL7916552 0.73 PLAU (0.34) JAK3F2PLGPLAUPLAT

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-2010090304-A1 ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-12 WO disclosed