SCHEMBL20938293

SCHEMBL20938293

CCOC(=O)/C(N)=C/C(=N)N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.45
ALOX15 P16050 1/20 0.44
GLO1 Q04760 1/20 0.41
ALDH1A1 P00352 4/20 0.37
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
CYP2C9 P11712 2/20 0.34
MAPT P10636 3/20 0.33

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
SCHEMBL21128303 0.86 NPSR1 (0.44) NPSR1ALOX15GLO1ALDH1A1CYP2D6
SCHEMBL17591873 0.81 NPSR1 (0.47) NPSR1ALOX15GLO1ALDH1A1CYP2D6
SCHEMBL348236 0.81 NPSR1 (0.63) NPSR1ALOX15GLO1ALDH1A1CYP2D6
SCHEMBL16019090 0.81 NPSR1 (0.47) NPSR1ALOX15GLO1ALDH1A1CYP2D6
SCHEMBL8579928 0.81 NPSR1 (0.63) NPSR1ALOX15GLO1ALDH1A1CYP2D6
SCHEMBL4576754 0.81 NPSR1 (0.63) NPSR1ALOX15GLO1ALDH1A1CYP2D6
SCHEMBL17591872 0.81 NPSR1 (0.47) NPSR1ALOX15GLO1ALDH1A1CYP2D6
SCHEMBL27400275 0.81 NPSR1 (0.47) NPSR1ALOX15GLO1ALDH1A1CYP2D6
SCHEMBL3357035 0.78
SCHEMBL6819424 0.78

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-2019079119-A1 SULPHONAMIDES AND COMPOSITIONS THEREOF FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM Tre, Inc. (US) 2019-04-25 WO disclosed