SCHEMBL24485684

SCHEMBL24485684

Cc1oc2ccc(OCc3nccn3C)cc2c1C(=O)NC1CCN(CCO)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 3/20 0.39
SLC26A4 O43511 7/20 0.38
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
BLM P54132 1/20 0.38
ATM Q13315 1/20 0.38
HTT P42858 1/20 0.38
ROCK1 Q13464 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL29629662 1.00 GAA (0.39) GAACASP3SENP8SENP7SENP6
SCHEMBL29630019 0.88 CASP3 (0.42) GAACASP3SENP8SENP7SENP6
SCHEMBL29629727 0.88 GAA (0.39) GAACASP3SENP8SENP7SENP6
SCHEMBL24485676 0.88 GAA (0.39) GAACASP3SENP8SENP7SENP6
SCHEMBL24485679 0.88 CASP3 (0.42) GAACASP3SENP8SENP7SENP6
SCHEMBL24485711 0.86 KDM4E (0.38) GAACASP3SENP8SENP7SENP6
SCHEMBL29630081 0.86 SLC26A4 (0.45) GAACASP3SENP8SENP7SENP6
SCHEMBL24484946 0.86 SLC26A4 (0.45) GAACASP3SENP8SENP7SENP6
SCHEMBL29629640 0.86 SLC26A4 (0.45) GAACASP3SENP8SENP7SENP6
SCHEMBL29630125 0.86 KDM4E (0.38) 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