SCHEMBL19981143

SCHEMBL19981143

N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H](CC(N)=O)c1nc(-c2cc(F)ccc2F)no1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.34
DPP7 Q9UHL4 3/20 0.34
LGMN Q99538 1/20 0.33
CNR2 P34972 4/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
RRM1 P23921 2/20 0.33
RRM2B Q7LG56 2/20 0.33
CNR1 P21554 1/20 0.32
S1PR1 P21453 4/20 0.32
SLC9A1 P19634 2/20 0.32
HDAC6 Q9UBN7 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
SCN9A Q15858 1/20 0.31
CTSA P10619 1/20 0.30

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
SCHEMBL19981159 0.80 DPP4 (0.38) DPP4DPP7S1PR1SLC9A1HDAC6
SCHEMBL19981133 0.78 DPP4 (0.36) DPP4DPP7S1PR1SLC9A1HDAC6
SCHEMBL19981291 0.77 VSIR (0.42) DPP4DPP7S1PR1SLC9A1HDAC6
SCHEMBL18078016 0.74 DPP4 (0.45) DPP4DPP7S1PR1SLC9A1CTSA
SCHEMBL19975480 0.73 DPP4 (0.40) DPP4DPP7S1PR1CTSA
SCHEMBL19975478 0.73 DPP4 (0.40) DPP4DPP7S1PR1CTSA
SCHEMBL19981240 0.72 LMNA (0.40) S1PR1HDAC6CTSA
SCHEMBL24218473 0.71 S1PR1 (0.35) DPP4DPP7S1PR1CTSA
SCHEMBL19867093 0.71 CD274 (0.58) DPP4DPP7S1PR1CTSA
SCHEMBL18077936 0.71 CD274 (0.58) DPP4DPP7S1PR1CTSA

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-2018051254-A1 CYCLIC SUBSTITUTED-1,2,4-OXADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-22 WO disclosed