SCHEMBL8348359

SCHEMBL8348359

COc1cc(C(=O)Nc2ccc(O)c(O)c2)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 1/20 0.64
TOP1 P11387 2/20 0.63
RAB9A P51151 5/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
SLC22A6 Q4U2R8 1/20 0.58
SLC22A8 Q8TCC7 1/20 0.58
NPC1 O15118 4/20 0.57
NQO2 P16083 1/20 0.57
CASP3 P42574 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TP53 P04637 2/20 0.55
POLB P06746 2/20 0.55
PKM P14618 3/20 0.54
ALOX15 P16050 1/20 0.54
MAPT P10636 1/20 0.53
NAMPT P43490 1/20 0.53

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
SCHEMBL13293386 0.93 AURKB (0.63) AURKBRAB9AMEN1KMT2ASLC22A6
SCHEMBL9616929 0.88 AURKB (0.68) AURKBTOP1RAB9AMEN1KMT2A
SCHEMBL28707478 0.87 AURKB (0.67) AURKBTOP1RAB9AMEN1KMT2A
SCHEMBL18027770 0.87 AURKB (0.67) AURKBTOP1RAB9AMEN1KMT2A
SCHEMBL18993429 0.85 AURKB (0.65) AURKBTOP1RAB9AMEN1KMT2A
SCHEMBL10904567 0.85 AURKB (0.72) AURKBRAB9AMEN1KMT2ASLC22A6
SCHEMBL3245372 0.84 NAMPT (0.65) AURKBTOP1RAB9AMEN1KMT2A
SCHEMBL29066067 0.84 ABCB1 (0.68) RAB9AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29066077 0.84 ATM (0.64) AURKBRAB9AMEN1KMT2ASLC22A6
SCHEMBL29429233 0.84 TOP1 (0.89) TOP1RAB9AMEN1KMT2ANPC1

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-2003101927-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE PROTEOTECH, INC. (US) 2003-12-11 WO disclosed