SCHEMBL7444087

SCHEMBL7444087

CS(=O)(=O)c1[nH]c2ccc(C#N)cc2c1C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP2C19 P33261 1/20 0.43
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
PGGT1B P53609 2/20 0.43
MAPKAPK2 P49137 1/20 0.42
GRIN2B Q13224 1/20 0.42
JAK2 O60674 3/20 0.42
JAK1 P23458 3/20 0.42
TYK2 P29597 3/20 0.42
JAK3 P52333 2/20 0.42
MGLL Q99685 1/20 0.41
PDE4B Q07343 1/20 0.41
PRMT5 O14744 1/20 0.41
HTT P42858 1/20 0.40
TRPC3 Q13507 2/20 0.40
TRPC7 Q9HCX4 2/20 0.40
SLC6A9 P48067 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
SCHEMBL7448879 0.88 FNTA (0.41) SMN1; SMN2NPC1RAB9ACYP2C19FNTA
SCHEMBL4676594 0.79 SLC6A4 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19JAK2
SCHEMBL4671109 0.78 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ACYP2C19FNTA
SCHEMBL2711762 0.77 GRIN2B (0.54) SMN1; SMN2NPC1RAB9ACYP2C19FNTA
SCHEMBL7450455 0.76 HTR6 (0.40)
SCHEMBL2711765 0.75 USP2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19FNTA
SCHEMBL3678518 0.75 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19FNTA
SCHEMBL4674308 0.72 FNTA (0.41) SMN1; SMN2NPC1RAB9ACYP2C19FNTA
SCHEMBL19405263 0.71 PDE4B (0.57) SMN1; SMN2NPC1RAB9ACYP2C19FNTA
SCHEMBL171260 0.71 FNTA (0.55) SMN1; SMN2NPC1RAB9ACYP2C19FNTA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP disclosed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO disclosed