Sugi Predict

Sugi Predict / Compounds / SCHEMBL22014734

SCHEMBL22014734

SCHEMBL22014734

CC(C)c1cc(C(=O)CC2CCCCC2)cc(C(C)C)c1CC(=O)/N=S(\N)c1cc(C(C)(C)O)n(-c2ccccc2)n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.34
▸ KHK P50053 3/20 0.33
▸ USP1 O94782 1/20 0.32
▸ MAPK13 O15264 1/20 0.31
▸ MAPK12 P53778 1/20 0.31
▸ MAPK11 Q15759 1/20 0.31
▸ MAPK14 Q16539 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
SCHEMBL22014738 0.83 P2RX7 (0.33) P2RX7KHKUSP1MAPK13MAPK12
SCHEMBL22015041 0.73 FPR1 (0.32) P2RX7MAPK13MAPK12MAPK11MAPK14
SCHEMBL30276790 0.73 KHK (0.34) KHKUSP1MAPK13MAPK12MAPK11
SCHEMBL25067163 0.72 FPR1 (0.31) P2RX7MAPK13MAPK12MAPK11MAPK14
SCHEMBL22021404 0.71 ALDH1A1 (0.45) MAPK13MAPK12MAPK11MAPK14
SCHEMBL21962109 0.69 FPR1 (0.32) P2RX7MAPK13MAPK12MAPK11MAPK14
SCHEMBL25066970 0.69 FPR1 (0.31) P2RX7MAPK13MAPK12MAPK11MAPK14
SCHEMBL21962069 0.66 SLC16A3 (0.30) —
SCHEMBL21962270 0.65 FPR1 (0.31) P2RX7MAPK13MAPK12MAPK11MAPK14
SCHEMBL25067075 0.64 — —

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-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 — — WO disclosed