SCHEMBL21962270

SCHEMBL21962270

CC(C)c1cc(C#CC2CCCCC2)cc(C(C)C)c1CC(=O)N=S(=O)(N[Si](C)(C)C(C)(C)C)c1cc(C(C)(C)O)n(-c2ccccc2)n1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
P2RX7 Q99572 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
PTGES O14684 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
SCHEMBL21962109 0.87 FPR1 (0.32) FPR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL25067035 0.82 PIK3CD (0.30)
SCHEMBL21962228 0.82 PIK3CD (0.30)
SCHEMBL22015041 0.74 FPR1 (0.32) FPR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL22014738 0.74 P2RX7 (0.33) FPR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL25067163 0.73 FPR1 (0.31) FPR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL25066970 0.73 FPR1 (0.31) FPR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL22282348 0.72 ALDH1A1 (0.35) MAPK13MAPK12MAPK11MAPK14
SCHEMBL21962069 0.70 SLC16A3 (0.30)
SCHEMBL25067075 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880658-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed