SCHEMBL25564366

SCHEMBL25564366

COC(=O)c1cc(F)c(Br)c(OC(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.48
POLB P06746 2/20 0.43
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
XDH P47989 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FUT7 Q11130 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALPL P05186 2/20 0.41
EPHX2 P34913 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 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
SCHEMBL29422734 0.84 NOTUM (0.47) NOTUMPOLBKDM4EL3MBTL1LMNA
SCHEMBL14914823 0.84 NOTUM (0.47) NOTUMPOLBKDM4EL3MBTL1LMNA
SCHEMBL25564365 0.82 NOTUM (0.46) NOTUMPOLBKDM4EL3MBTL1LMNA
SCHEMBL22655542 0.82 KDM4E (0.55) NOTUMPOLBKDM4EL3MBTL1LMNA
SCHEMBL1110800 0.78 NOTUM (0.58) NOTUMKDM4EL3MBTL1LMNAGAA
SCHEMBL24901671 0.78 NOTUM (0.49) NOTUMPOLBKDM4EL3MBTL1LMNA
SCHEMBL2240748 0.77 NOTUM (0.59) NOTUMKDM4EL3MBTL1LMNAGAA
SCHEMBL25902171 0.77 PDE4D (0.41) NOTUMPOLBKDM4EL3MBTL1LMNA
SCHEMBL22168072 0.76 KDM4E (0.48) NOTUMPOLBKDM4EL3MBTL1LMNA
SCHEMBL26122367 0.76 KDM4E (0.63) NOTUMPOLBKDM4EL3MBTL1LMNA

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
WO-2023088233-A1 LYSINE ACETYLTRANSFERASE 6A (KAT6A) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-25 WO disclosed