SCHEMBL30280484

SCHEMBL30280484

CCCN(CCC)c1cccc(NS(C)(=O)=O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.65
NR3C2 P08235 3/20 0.48
ALDH1A1 P00352 4/20 0.46
HTR7 P34969 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KEAP1 Q14145 1/20 0.46
KIF11 P52732 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BRD4 O60885 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40

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
SCHEMBL28974174 1.00 NR3C1 (0.65) NR3C1NR3C2ALDH1A1HTR7SMN1; SMN2
SCHEMBL5945125 0.87 NR3C1 (0.68) NR3C1NR3C2ALDH1A1HTR7SMN1; SMN2
SCHEMBL29407201 0.87 NR3C1 (0.68) NR3C1NR3C2ALDH1A1HTR7SMN1; SMN2
SCHEMBL28038520 0.86 NR3C1 (0.63) NR3C1NR3C2ALDH1A1HTR7SMN1; SMN2
Hydrochloric Acid SCHEMBL11059615 0.86 NR3C1 (0.67) NR3C1NR3C2ALDH1A1HTR7SMN1; SMN2
SCHEMBL11701347 0.79 NR3C1 (0.55) NR3C1NR3C2ALDH1A1HTR7SMN1; SMN2
SCHEMBL11439452 0.79 NR3C1 (0.55) NR3C1NR3C2ALDH1A1HTR7SMN1; SMN2
SCHEMBL10894219 0.79 NR3C1 (0.87) NR3C1NR3C2KEAP1TSHR
SCHEMBL11670069 0.78 NR3C1 (0.61) NR3C1NR3C2ALDH1A1HTR7SMN1; SMN2
SCHEMBL2477253 0.78 NR3C1 (0.60) NR3C1NR3C2ALDH1A1HTR7SMN1; SMN2

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
CN-115850991-A High-wet fast dispersing dye and its mixture 德司达染料分销有限公司 2023-03-28 CN disclosed