SCHEMBL23794892

SCHEMBL23794892

FC(F)(F)c1ccc(Nc2ccon2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
DHODH Q02127 2/20 0.47
EPHX2 P34913 9/20 0.46
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
ULK1 O75385 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40

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
SCHEMBL23794891 0.79 MAPK10 (0.50) KMT2AKCNH2SCN5ASCN9A
SCHEMBL5788078 0.76 RAB9A (0.43) KMT2A
SCHEMBL23794893 0.76 MAPT (0.48) KMT2AKCNH2SCN5ASCN9A
SCHEMBL23794887 0.76 RAB9A (0.60) KMT2A
SCHEMBL23794894 0.76 AURKA (0.49) KMT2A
SCHEMBL5765529 0.75 KMT2A (0.50) KMT2A
SCHEMBL1921455 0.73 EPHX2 (0.56) KMT2ADHODHEPHX2
SCHEMBL394422 0.73 EPHX2 (0.56) KMT2ADHODHEPHX2
SCHEMBL23794897 0.71 ROCK1 (0.51) KMT2A
SCHEMBL23794896 0.71 RAB9A (0.59) KMT2A

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
EP-3876933-A1 NEUTROPHIL INFLAMMATION INHIBITOR AND USES THEREOF Chang Gung University of Science and Technology (TW) 2021-09-15 EP disclosed