SCHEMBL28920993

SCHEMBL28920993

NC(=O)NC(C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ GRIN2D O15399 1/20 0.45
▸ GRIN3B O60391 1/20 0.45
▸ GRIN1 Q05586 1/20 0.45
▸ GRIN2A Q12879 1/20 0.45
▸ GRIN2B Q13224 1/20 0.45
▸ GRIN2C Q14957 1/20 0.45
▸ GRIN3A Q8TCU5 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ GRIK1 P39086 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ULK1 O75385 1/20 0.43
▸ LMNA P02545 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
SCHEMBL6827394 0.89 POLB (0.53) POLBMAPK1ALDH1A1KDM4EMEN1
SCHEMBL8344864 0.81 POLB (0.62) POLBMAPK1ALDH1A1KDM4EMEN1
SCHEMBL28613983 0.80 TTK (0.53) POLBMAPK1ALDH1A1KDM4EMEN1
SCHEMBL6716071 0.80 TTK (0.53) POLBMAPK1ALDH1A1KDM4EMEN1
SCHEMBL6715497 0.79 ALDH1A1 (0.55) POLBMAPK1ALDH1A1GAASMN1; SMN2
SCHEMBL6714152 0.79 ULK1 (0.53) POLBMAPK1ALDH1A1KMT2AGAA
SCHEMBL28920385 0.79 POLB (0.56) POLBMAPK1ALDH1A1MEN1KMT2A
SCHEMBL28617495 0.79 KDM4E (0.48) POLBMAPK1ALDH1A1KDM4EMEN1
SCHEMBL29958946 0.79 GRIN2D (0.60) POLBMAPK1ALDH1A1KDM4EMEN1
SCHEMBL167598 0.79 GRIN2D (0.60) POLBMAPK1ALDH1A1KDM4EMEN1

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-110041285-B Preparation method of 2, 4, 5-trisubstituted oxazole compound 大连理工大学 2021-08-20 — — CN disclosed
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