SCHEMBL22012906

SCHEMBL22012906

O=S(=O)(Cl)c1sc(CNC2CCC2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.36
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN1A P35498 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
HTT P42858 2/20 0.32
GLA P06280 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 3/20 0.30
HRH3 Q9Y5N1 1/20 0.30
MEN1 O00255 1/20 0.30
FABP6 P51161 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
SCHEMBL30244205 0.70 NLRP3 (0.42) ALDH1A1
SCHEMBL30243927 0.70 NLRP3 (0.42) ALDH1A1
SCHEMBL22012515 0.70 NLRP3 (0.42) ALDH1A1
SCHEMBL30770379 0.70 NLRP3 (0.42) ALDH1A1
SCHEMBL20680950 0.67 PARP1 (0.38)
SCHEMBL21962811 0.65 PABPC1 (0.42) PABPC1HTTGLANPSR1POLB
SCHEMBL22019972 0.63 CYP11B1 (0.33)
SCHEMBL28469040 0.60 ALDH1A1 (0.51) PABPC1HTTPOLBALDH1A1TSHR
SCHEMBL31136489 0.57 MAPT (0.54) PABPC1SMN1; SMN2HTTGLANPSR1
SCHEMBL20681176 0.57 LMNA (0.42) NPC1RAB9ASMN1; SMN2HTTGLA

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