SCHEMBL808022

SCHEMBL808022

C=C(/N=C(N)\N=C(/N)c1noc(C2CCN(S(=O)(=O)CC(F)(F)F)C2)n1)N(C)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.35
TSHR P16473 4/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HTT P42858 3/20 0.35
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2C9 P11712 1/20 0.34
APEX1 P27695 1/20 0.34
KMT2A Q03164 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
POLB P06746 1/20 0.32
HSD17B10 Q99714 2/20 0.32
NPC1 O15118 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
SCHEMBL808034 0.88 GAA (0.35) LMNATSHRNPSR1GAASMN1; SMN2
SCHEMBL808223 0.88 LMNA (0.43) LMNATSHRNPSR1GAASMN1; SMN2
SCHEMBL808048 0.85 LMNA (0.36) LMNATSHRGAASMN1; SMN2HTT
SCHEMBL10286916 0.84 ALDH1A1 (0.38) LMNATSHRNPSR1GAASMN1; SMN2
SCHEMBL10286918 0.84 GAA (0.39) LMNATSHRNPSR1GAASMN1; SMN2
SCHEMBL808046 0.83 GAA (0.31) GAA
SCHEMBL10286917 0.82 GRM5 (0.41) LMNATSHRNPSR1GAASMN1; SMN2
SCHEMBL807956 0.80 PRCP (0.35) GAAALDH1A1MAPTMEN1CYP2C9
SCHEMBL807935 0.79 SMN1; SMN2 (0.41) LMNATSHRGAASMN1; SMN2ALDH1A1
SCHEMBL10287144 0.73 CPT2 (0.33)

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-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO disclosed