SCHEMBL29630267

SCHEMBL29630267

O=C(O)c1c(C(F)F)oc2ccc(OCc3cccnc3C(F)(F)F)cc12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC26A4 O43511 6/20 0.51
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ANO1 Q5XXA6 7/20 0.44
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
BLM P54132 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL29096040 1.00 SLC26A4 (0.51) SLC26A4KMT2AMEN1ANO1POLB
SCHEMBL29630173 0.88 MAPT (0.49) SLC26A4KMT2AMEN1POLBLMNA
SCHEMBL29095839 0.88 MAPT (0.49) SLC26A4KMT2AMEN1POLBLMNA
SCHEMBL24485031 0.87 SLC26A4 (0.69) SLC26A4KMT2AMEN1ANO1POLB
SCHEMBL29095857 0.85 SLC26A4 (0.49) SLC26A4KMT2AMEN1ANO1POLB
SCHEMBL29630302 0.85 SLC26A4 (0.49) SLC26A4KMT2AMEN1ANO1POLB
SCHEMBL29630228 0.84 SLC26A4 (0.53) SLC26A4KMT2AMEN1ANO1POLB
SCHEMBL24484889 0.84 SLC26A4 (0.53) SLC26A4KMT2AMEN1ANO1POLB
SCHEMBL24484891 0.84 SLC26A4 (0.48) SLC26A4KMT2AMEN1ANO1POLB
SCHEMBL29629767 0.84 SLC26A4 (0.48) SLC26A4KMT2AMEN1ANO1POLB

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-2022112352-A1 HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed