SCHEMBL29154651

SCHEMBL29154651

Cc1nc(-c2cccs2)c(-c2ccccc2)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 1/20 0.60
▸ MAPK12 P53778 1/20 0.60
▸ MAPK11 Q15759 1/20 0.60
▸ MAPK14 Q16539 1/20 0.60
▸ PTGS2 P35354 6/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ PTGS1 P23219 4/20 0.44
▸ NR4A2 P43354 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ PPARG P37231 2/20 0.43
▸ NCOA2 Q15596 2/20 0.43
▸ NCOA1 Q15788 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL8380751 0.82 PTGS2 (0.69) PTGS2KMT2APTGS1
SCHEMBL2091239 0.79 MAPK13 (0.83) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL4462189 0.76 NR4A2 (0.53) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL1387446 0.76 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL6513115 0.74 PTGS2 (0.70) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL29580874 0.73 MEN1 (0.48) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL31194854 0.72 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL2066554 0.71 ALDH1A1 (0.42) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL13772755 0.71 MAPK13 (0.69) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL29154645 0.71 MAPK13 (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510430-B Oxazole compound and synthetic method and application thereof 南昌大学 2024-10-25 — — CN disclosed
CN-117510430-A Oxazole compound and synthetic method and application thereof 南昌大学 2024-02-06 — — CN disclosed
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