SCHEMBL22012707

SCHEMBL22012707

C[C@H]1CC1C(N)c1ccc(S(=O)(=O)NC(C)(C)C)s1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.31
PARG Q86W56 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HTT P42858 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL21962257 0.84 NSD2 (0.33) NSD2PARGLMNAMAPTSMN1; SMN2
SCHEMBL21962402 0.73 HSD17B2 (0.36) NSD2PARGLMNAMAPTSMN1; SMN2
SCHEMBL21962838 0.72 LMNA (0.32) PARGLMNAMAPTSMN1; SMN2KDM4E
SCHEMBL23093222 0.69 NSD2 (0.44) NSD2PARGLMNAMAPTSMN1; SMN2
SCHEMBL7512043 0.69 L3MBTL1 (0.44) NSD2LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL21962711 0.68 USP30 (0.35) LMNAMEN1KMT2A
SCHEMBL22012708 0.68 MMP13 (0.38) LMNAMAPTKDM4E
SCHEMBL11054324 0.67 KMT2A (0.43) NSD2PARGLMNAMAPTSMN1; SMN2
SCHEMBL21962347 0.66 LMNA (0.41) LMNAMAPTHPGDKMT2AALDH1A1
SCHEMBL1523222 0.66 ALDH1A1 (0.54) LMNAMAPTSMN1; SMN2MEN1HPGD

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-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed