SCHEMBL28613983

SCHEMBL28613983

N[C@H](C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.53
▸ POLB P06746 4/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ GAA P10253 1/20 0.50
▸ GRIK1 P39086 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL6716071 1.00 TTK (0.53) TTKPOLBMAPK1MEN1KMT2A
SCHEMBL28583985 0.82 POLB (0.52) POLBMAPK1MEN1KMT2AKDM4E
SCHEMBL28920993 0.80 POLB (0.51) POLBMAPK1MEN1KMT2AKDM4E
SCHEMBL6827394 0.79 POLB (0.53) POLBMAPK1MEN1KMT2AKDM4E
SCHEMBL3456848 0.78 KCNQ2 (0.64) POLBMAPK1MEN1KMT2AKDM4E
SCHEMBL10668212 0.78 POLB (0.57) POLBMAPK1MEN1KMT2AKDM4E
SCHEMBL11620551 0.78 ALDH1A1 (0.73) POLBMAPK1MEN1KMT2AKDM4E
SCHEMBL28304093 0.77 CTSD (0.44) POLB
SCHEMBL28302839 0.77 L3MBTL1 (0.48) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL28302841 0.77 L3MBTL1 (0.48) POLBMEN1KMT2AALDH1A1GAA

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
Send feedback