SCHEMBL20680966

SCHEMBL20680966

CC(C)(C)NS(=O)(=O)c1nc(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cs1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 3/20 0.34
STAT3 P40763 1/20 0.34
CYP3A4 P08684 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
TP53 P04637 2/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
SMYD2 Q9NRG4 1/20 0.31
PARG Q86W56 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL20680904 0.85 LMNA (0.34) LMNARAB9AHTTSMN1; SMN2CYP3A4
SCHEMBL8172907 0.78 SMYD2 (0.33) LMNARAB9AHTTSMN1; SMN2CYP3A4
SCHEMBL19475467 0.75 PARG (0.34) ALOX5APFEN1PARG
SCHEMBL20681345 0.74 LOXL2 (0.37) HTTSMN1; SMN2CYP3A4POLB
SCHEMBL20680986 0.73 ALDH1A1 (0.35) LMNARAB9ASMN1; SMN2ALDH1A1ALOX5AP
SCHEMBL21583207 0.70 ALDH1A1 (0.37) LMNARAB9ASMN1; SMN2ALDH1A1ALOX5AP
SCHEMBL1812544 0.67 MMP2 (0.45) LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL8194770 0.66 TAAR1 (0.39) HTTSMN1; SMN2CYP3A4SMYD2CYP2C19
SCHEMBL8172914 0.66 MAPT (0.37) RAB9AHTTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL17784698 0.65 NSD2 (0.40) ALOX5APFEN1PARG

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-3658539-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis Inflammasome Research, Inc. (US) 2020-06-03 EP disclosed
WO-2019023147-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM Tre, Inc. (US) 2019-01-31 WO disclosed