SCHEMBL29630302

SCHEMBL29630302

N#Cc1oc2ccc(OCc3cccnc3C(F)(F)F)cc2c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC26A4 O43511 5/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ANO1 Q5XXA6 7/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
BLM P54132 1/20 0.40
ATM Q13315 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
SCHEMBL29095857 1.00 SLC26A4 (0.49) SLC26A4MEN1KMT2AANO1POLB
SCHEMBL29095836 0.88 MAPT (0.49) SLC26A4MEN1KMT2APOLBLMNA
SCHEMBL29630233 0.88 MAPT (0.49) SLC26A4MEN1KMT2APOLBLMNA
SCHEMBL24485031 0.85 SLC26A4 (0.69) SLC26A4MEN1KMT2AANO1POLB
SCHEMBL29630267 0.85 SLC26A4 (0.51) SLC26A4MEN1KMT2AANO1POLB
SCHEMBL29096040 0.85 SLC26A4 (0.51) SLC26A4MEN1KMT2AANO1POLB
SCHEMBL29629767 0.82 SLC26A4 (0.48) SLC26A4MEN1KMT2AANO1POLB
SCHEMBL24484891 0.82 SLC26A4 (0.48) SLC26A4MEN1KMT2AANO1POLB
SCHEMBL24485216 0.78 MAPT (0.63) SLC26A4MEN1KMT2APOLBLMNA
SCHEMBL29095725 0.77 PTGS2 (0.61) SLC26A4MEN1KMT2APOLBLMNA

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