SCHEMBL21806124

SCHEMBL21806124

CS(=O)(=O)O[C@H]1CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
PDE4B Q07343 2/20 0.51
CYP2C19 P33261 1/20 0.50
JAK2 O60674 2/20 0.47
JAK1 P23458 2/20 0.47
TYK2 P29597 2/20 0.47
JAK3 P52333 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 1/20 0.46
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
F13A1 P00488 2/20 0.44
TGM2 P21980 2/20 0.44

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
SCHEMBL28408148 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9APDE4BCYP2C19
SCHEMBL711419 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9APDE4BCYP2C19
SCHEMBL2492947 0.93 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9APDE4BCYP2C19
SCHEMBL15084704 0.93 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9APDE4BCYP2C19
SCHEMBL1103933 0.93 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9APDE4BCYP2C19
SCHEMBL3620573 0.91 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9APDE4BCYP2C19
SCHEMBL504558 0.91 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9APDE4BCYP2C19
SCHEMBL18592896 0.89 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9APDE4BCYP2C19
SCHEMBL29080072 0.88 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9APDE4BCYP2C19
SCHEMBL11916703 0.85 PDE4B (0.57) SMN1; SMN2NPC1RAB9APDE4BCYP2C19

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-3853212-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF Novartis AG (CH) 2021-07-28 EP disclosed
WO-2020058913-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2020-03-26 WO disclosed