SCHEMBL29154646

SCHEMBL29154646

Cc1nc(F)c(-c2ccccc2)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.54
MAPK12 P53778 1/20 0.54
MAPK11 Q15759 1/20 0.54
MAPK14 Q16539 1/20 0.54
PTGS2 P35354 5/20 0.47
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
NR4A2 P43354 2/20 0.40
PTGS1 P23219 2/20 0.40
ELANE P08246 1/20 0.39
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL342242 0.79 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL2091239 0.78 MAPK13 (0.83) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL8924884 0.78 USP1 (0.47) MAPK13MAPK12MAPK11MAPK14L3MBTL1
SCHEMBL5537558 0.76 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL27216988 0.76 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL31194857 0.74 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL9949139 0.73 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL5592519 0.73 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL5994160 0.73 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL29580256 0.72 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14PTGS2

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-117510430-A Oxazole compound and synthetic method and application thereof 南昌大学 2024-02-06 CN disclosed