SCHEMBL8171306

SCHEMBL8171306

O=C(O)/C=C/c1cnc(NCCS(=O)(=O)c2ccc(I)cc2)c(I)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
P4HTM Q9NXG6 1/20 0.35
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
PIM2 Q9P1W9 4/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 2/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
TBXAS1 P24557 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL13428558 0.80 KDM4E (0.46) RAB9AGAAPKML3MBTL1MEN1
SCHEMBL8171132 0.79 AKR1C3 (0.39) RAB9AP4HTMPIM2PKMMEN1
SCHEMBL8179189 0.74 RAB9A (0.39) RAB9AP4HTMNPC1PIM2KDM4E
SCHEMBL8185673 0.74 RAB9A (0.39) RAB9AP4HTMPIM2NPSR1KDM4E
SCHEMBL8171035 0.73 SMN1; SMN2 (0.48) RAB9ANPC1PIM2PKML3MBTL1
SCHEMBL8179174 0.72 KMT2A (0.48) RAB9ANPSR1MEN1KMT2AHTT
SCHEMBL8179173 0.70 PIM1 (0.40) RAB9ANPC1GAAPIM2L3MBTL1
SCHEMBL13429144 0.70 HDAC1 (0.47) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL8190113 0.70 HDAC1 (0.36)
SCHEMBL8185494 0.69 HDAC1 (0.45) PKMMEN1KMT2AKDM4EALDH1A1

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-2008075757-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2008-06-26 WO disclosed