SCHEMBL24485643

SCHEMBL24485643

Cc1oc2ccc(OCc3cccnc3O)cc2c1C(=O)NC1(CO)CCOC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC26A4 O43511 6/20 0.47
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 4/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
DGAT2 Q96PD7 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADAMTS4 O75173 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39

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
SCHEMBL29629915 1.00 SLC26A4 (0.47) SLC26A4MEN1KMT2AMAPTTSHR
SCHEMBL24485342 0.93 SLC26A4 (0.51) SLC26A4MEN1KMT2AMAPTTSHR
SCHEMBL29629961 0.93 SLC26A4 (0.51) SLC26A4MEN1KMT2AMAPTTSHR
SCHEMBL29629637 0.91 SLC26A4 (0.49) SLC26A4MEN1KMT2AMAPTTSHR
SCHEMBL24485706 0.91 SLC26A4 (0.49) SLC26A4MEN1KMT2AMAPTTSHR
SCHEMBL24485644 0.91 SLC26A4 (0.46) SLC26A4MEN1KMT2AMAPTTSHR
SCHEMBL29630097 0.91 SLC26A4 (0.46) SLC26A4MEN1KMT2AMAPTTSHR
SCHEMBL24484976 0.89 SLC26A4 (0.45) SLC26A4MEN1KMT2AMAPTTSHR
SCHEMBL24485701 0.89 SLC26A4 (0.48) SLC26A4MEN1KMT2AMAPTTSHR
SCHEMBL29629974 0.89 SLC26A4 (0.48) SLC26A4MEN1KMT2AMAPTTSHR

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