SCHEMBL24485679

SCHEMBL24485679

Cc1oc2ccc(OCc3ccccn3)cc2c1C(=O)NC1CCN(CCO)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
SLC26A4 O43511 5/20 0.42
PTGS2 P35354 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ROCK1 Q13464 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
P2RY12 Q9H244 1/20 0.40
PRKDC P78527 2/20 0.39
GAA P10253 1/20 0.39
MET P08581 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.38
ATM Q13315 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL29630019 1.00 CASP3 (0.42) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL24484946 0.89 SLC26A4 (0.45) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL29630081 0.89 SLC26A4 (0.45) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL29629810 0.89 SLC26A4 (0.44) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL24485720 0.89 SLC26A4 (0.44) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL30719759 0.88 ALDH1A1 (0.36) PTGS2L3MBTL1METTSHRKDM4E
SCHEMBL24485684 0.88 GAA (0.39) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL24485676 0.88 GAA (0.39) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL29629727 0.88 GAA (0.39) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL29629662 0.88 GAA (0.39) CASP3SENP8SENP7SENP6SLC26A4

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