SCHEMBL28958691

SCHEMBL28958691

NC(=O)Oc1ccc(OC(F)(F)F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.53
SLC7A5 Q01650 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE2A O00408 3/20 0.46
KIF11 P52732 1/20 0.45
SCN9A Q15858 3/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ABL1 P00519 1/20 0.37
KCNN4 O15554 1/20 0.36
PIM1 P11309 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL29177391 0.87 MEN1 (0.46) EPHX2MEN1KMT2APDE2AKIF11
SCHEMBL29177399 0.87 EPHX2 (0.45) EPHX2SLC7A5MEN1KMT2APDE2A
SCHEMBL28351071 0.80 EPHX2 (0.46) EPHX2SLC7A5PDE2ASCN9ASLC6A2
SCHEMBL23518992 0.79 EPHX2 (0.54) EPHX2SLC7A5PDE2ASCN9AABL1
SCHEMBL27777720 0.79 KMT2A (0.47) MEN1KMT2AKIF11
SCHEMBL29177250 0.78 EPHX2 (0.45) EPHX2SLC7A5MEN1KMT2APDE2A
SCHEMBL14506627 0.78 EPHX2 (0.47) EPHX2SLC7A5MEN1KMT2APDE2A
SCHEMBL28954385 0.77 KMT2A (0.46) MEN1KMT2AKIF11SCN9A
SCHEMBL27091691 0.77 PIM1 (0.42) EPHX2KMT2AKIF11SCN9ASLC6A2
SCHEMBL5265818 0.77 MEN1 (0.57) MEN1KMT2AKIF11SCN9AKCNN4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115873069-A Peptide amide compound, pharmaceutically acceptable salt and stereoisomer thereof, and application thereof 天地恒一制药股份有限公司 2023-03-31 CN disclosed
CN-115707712-A Peptide amide compound, pharmaceutically acceptable salt and stereoisomer thereof, and application thereof 天地恒一制药股份有限公司 2023-02-21 CN disclosed
CN-114728962-A Plasma kallikrein inhibitors and uses thereof 武田药品工业有限公司 2022-07-08 CN disclosed