SCHEMBL30684129

SCHEMBL30684129

CC(C)Oc1cc(-c2cc(F)cc(C(C)C)c2N)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
NLRP3 Q96P20 5/20 0.40
ACVR2A P27037 2/20 0.36
TGFBR2 P37173 2/20 0.36
ALOX5AP P20292 5/20 0.35
FEN1 P39748 5/20 0.35
HRH4 Q9H3N8 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2A1 P68400 1/20 0.34
PDE10A Q9Y233 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
ACACB O00763 1/20 0.32

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
SCHEMBL20742969 1.00 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11NLRP3
SCHEMBL29927552 0.88 NLRP3 (0.48) MAPK14MAPK13MAPK12MAPK11NLRP3
SCHEMBL20609796 0.88 NLRP3 (0.48) MAPK14MAPK13MAPK12MAPK11NLRP3
SCHEMBL20744375 0.87 NLRP3 (0.41) MAPK14MAPK13MAPK12MAPK11NLRP3
SCHEMBL30684077 0.87 NLRP3 (0.41) MAPK14MAPK13MAPK12MAPK11NLRP3
SCHEMBL23012692 0.82 ADORA2B (0.43) MAPK14MAPK13MAPK12MAPK11NLRP3
SCHEMBL20744447 0.82 DYRK1A (0.39) MAPK14MAPK13MAPK12MAPK11NLRP3
SCHEMBL29573583 0.82 ADORA2B (0.43) MAPK14MAPK13MAPK12MAPK11NLRP3
SCHEMBL20743706 0.81 TDO2 (0.39) HRH4PIK3CB
SCHEMBL30684113 0.81 TDO2 (0.39) HRH4PIK3CB

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
CN-111132974-B Sulfonamide carboxamide compounds 英夫拉索姆有限公司 2023-11-21 CN disclosed