SCHEMBL9436796

SCHEMBL9436796

CN(C)S(=O)(=O)n1cnc(-c2ccc3cccc(O)c3c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.35
HSD17B1 P14061 4/20 0.35
HSD17B2 P37059 4/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 4/20 0.33
GFER P55789 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HSD17B10 Q99714 2/20 0.32
TSHR P16473 2/20 0.32
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL2184244 0.75 TSHR (0.54) MEN1KMT2ANPSR1ALDH1A1KDM4E
SCHEMBL4046417 0.72 MEN1 (0.40) MEN1KMT2ANPSR1ALDH1A1KDM4E
SCHEMBL2719936 0.70 MAPT (0.46) MEN1KMT2ANPSR1ALDH1A1KDM4E
SCHEMBL12256781 0.67 SIRT2 (0.38) GAAMAPK1
SCHEMBL9876018 0.64 ALPL (0.41) NPSR1ALDH1A1KDM4EHPGDNPC1
SCHEMBL3747951 0.63 BACE1 (0.43) CYP1A2
SCHEMBL30020352 0.62 HSD17B1 (0.57) MEN1KMT2ACTDSP1HSD17B1HSD17B2
SCHEMBL3747955 0.62 SMN1; SMN2 (0.43) MEN1KMT2ANPSR1ALDH1A1KDM4E
SCHEMBL5697319 0.60 CTDSP1 (0.53) MEN1KMT2ANPSR1CTDSP1HSD17B1
SCHEMBL3018108 0.60 ESR1 (0.73) CTDSP1HSD17B1HSD17B2ESR1ESR2

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
US-5359051-A Compounds useful in the synthesis of nucleic acids capable of cleaning RNA ISIS PHARMACEUTICALS (US) 1994-10-25 US disclosed