SCHEMBL28583985

SCHEMBL28583985

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ GAA P10253 1/20 0.50
▸ GRIK1 P39086 1/20 0.48
▸ SRC P12931 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ LMNA P02545 1/20 0.47

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 0.82 TTK (0.53) POLBMAPK1MEN1KMT2AKDM4E
SCHEMBL28613983 0.82 TTK (0.53) POLBMAPK1MEN1KMT2AKDM4E
SCHEMBL6827394 0.79 POLB (0.53) POLBMAPK1MEN1KMT2AKDM4E
SCHEMBL3456848 0.78 KCNQ2 (0.64) POLBMAPK1MEN1KMT2AKDM4E
SCHEMBL11620551 0.78 ALDH1A1 (0.73) POLBMAPK1MEN1KMT2AKDM4E
SCHEMBL10668212 0.78 POLB (0.57) POLBMAPK1MEN1KMT2AKDM4E
SCHEMBL28920993 0.77 POLB (0.51) POLBMAPK1MEN1KMT2AKDM4E
SCHEMBL1008398 0.77 POLB (0.63) POLBMAPK1MEN1KMT2AKDM4E
SCHEMBL28577403 0.76 HTT (0.55) POLBMAPK1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL28589799 0.76 KCNQ2 (0.61) POLBMAPK1MEN1KMT2AKDM4E

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-112778154-B Aryl alkyl ether compound and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2022-05-13 — — CN disclosed
CN-112778154-A Aryl alkyl ether compound and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2021-05-11 — — CN disclosed
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