SCHEMBL24470542

SCHEMBL24470542

Cc1ccc(COc2ccc3oc(C)c(C(=O)N[C@H]4CCNC4)c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC26A4 O43511 5/20 0.52
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
LMNA P02545 3/20 0.52
BLM P54132 1/20 0.52
ATM Q13315 1/20 0.52
HTT P42858 1/20 0.52
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
ANO1 Q5XXA6 3/20 0.47
MAPT P10636 3/20 0.46
TSHR P16473 2/20 0.46
ROCK1 Q13464 1/20 0.45
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL29713087 1.00 SLC26A4 (0.52) SLC26A4KMT2AMEN1LMNABLM
SCHEMBL29713016 0.93 LMNA (0.62) SLC26A4KMT2AMEN1LMNABLM
SCHEMBL24470826 0.93 LMNA (0.62) SLC26A4KMT2AMEN1LMNABLM
SCHEMBL30569371 0.93 CASP3 (0.61) SLC26A4KMT2AMEN1LMNABLM
SCHEMBL25296777 0.93 CASP3 (0.61) SLC26A4KMT2AMEN1LMNABLM
SCHEMBL24470643 0.93 CASP3 (0.61) SLC26A4KMT2AMEN1LMNABLM
SCHEMBL24470577 0.93 CASP3 (0.61) SLC26A4KMT2AMEN1LMNABLM
SCHEMBL24470761 0.91 KMT2A (0.48) SLC26A4KMT2AMEN1LMNABLM
SCHEMBL24485017 0.91 CASP3 (0.49) SLC26A4KMT2AMEN1LMNABLM
SCHEMBL24470587 0.91 SLC26A4 (0.52) SLC26A4KMT2AMEN1LMNABLM

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-2022112345-A1 ARYL DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed