SCHEMBL8600680

SCHEMBL8600680

CC(C)C1NSN(CSc2nnnn2-c2ccccc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
PKM P14618 2/20 0.51
POLB P06746 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
ELANE P08246 3/20 0.46
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL8598860 0.72 ALDH1A1 (0.51) ALDH1A1PKMPOLBMEN1MAPT
SCHEMBL7337976 0.72 ELANE (0.55) ALDH1A1PKMPOLBNPC1CYP1A2
SCHEMBL10814293 0.68 ALDH1A1 (1.00) ALDH1A1PKMPOLBMEN1MAPT
SCHEMBL12532944 0.68 ALDH1A1 (0.61) ALDH1A1PKMPOLBMEN1MAPT
SCHEMBL10448232 0.68 ALDH1A1 (1.00) ALDH1A1PKMPOLBMEN1MAPT
SCHEMBL11925367 0.68 ALDH1A1 (0.78) ALDH1A1POLBMEN1MAPTKMT2A
SCHEMBL1610031 0.67 POLB (1.00) ALDH1A1PKMPOLBMEN1MAPT
SCHEMBL9769246 0.67 HSD17B10 (0.58) ALDH1A1PKMPOLBMEN1MAPT
SCHEMBL7330895 0.67 ELANE (0.54) ALDH1A1PKMPOLBMEN1MAPT
SCHEMBL12398233 0.66 ALDH1A1 (0.63) ALDH1A1PKMPOLBMEN1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793494-A4 2-HETEROCYCLYLOXY AND THIOMETHYL-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP INC (US) 1998-01-28 EP disclosed
EP-0793494-A1 2-HETEROCYCLYLOXY AND THIOMETHYL-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP, INC. (US) 1997-09-10 EP disclosed
WO-1996016649-A1 2-HETEROCYCLYLOXY AND THIOMETHYL-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-06-06 WO disclosed