SCHEMBL24485669

SCHEMBL24485669

Cc1ncsc1COc1ccc2oc(C)c(C(=O)NCC(C)(C)CO)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 2/20 0.43
SLC26A4 O43511 7/20 0.43
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
BLM P54132 1/20 0.43
ATM Q13315 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 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
SCHEMBL29629903 1.00 GAA (0.44) GAACASP3SENP8SENP7SENP6
SCHEMBL29629920 0.91 GAA (0.46) GAACASP3SENP8SENP7SENP6
SCHEMBL24484925 0.91 GAA (0.46) GAACASP3SENP8SENP7SENP6
SCHEMBL29629945 0.90 LMNA (0.46) GAACASP3SENP8SENP7SENP6
SCHEMBL24485206 0.90 LMNA (0.46) GAACASP3SENP8SENP7SENP6
SCHEMBL29630120 0.90 LMNA (0.46) GAACASP3SENP8SENP7SENP6
SCHEMBL24484492 0.89 LMNA (0.46) GAACASP3SENP8SENP7SENP6
SCHEMBL29629769 0.89 LMNA (0.46) GAACASP3SENP8SENP7SENP6
SCHEMBL24485376 0.88 GAA (0.46) GAACASP3SENP8SENP7SENP6
SCHEMBL29629930 0.88 GAA (0.46) GAACASP3SENP8SENP7SENP6

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