SCHEMBL29154647

SCHEMBL29154647

Cc1nc(-c2ccc(C(F)(F)F)cc2)c(-c2ccccc2)o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 2/20 0.68
▸ MAPK12 P53778 2/20 0.68
▸ MAPK11 Q15759 2/20 0.68
▸ MAPK14 Q16539 2/20 0.68
▸ PTGS2 P35354 5/20 0.59
▸ KMT2A Q03164 2/20 0.58
▸ MEN1 O00255 1/20 0.54
▸ NR4A2 P43354 1/20 0.50
▸ KIF11 P52732 1/20 0.50
▸ PTGS1 P23219 2/20 0.48
▸ TOP1 P11387 1/20 0.46
▸ RXRA P19793 4/20 0.45
▸ RXRB P28702 4/20 0.45
▸ RXRG P48443 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL2091239 0.85 MAPK13 (0.83) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL11749503 0.82 MEN1 (0.54) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL11747487 0.82 KMT2A (0.54) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL11755719 0.82 KMT2A (0.54) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL11752547 0.82 MEN1 (0.54) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL1387446 0.81 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL29154643 0.80 MAPK13 (0.69) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL29154645 0.80 MAPK13 (0.69) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL13772755 0.80 MAPK13 (0.69) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL28889445 0.79 PTGS2 (0.50) 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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