SCHEMBL29629919

SCHEMBL29629919

Cc1oc2ccc(OCc3ccccn3)cc2c1C(=O)NC1(CO)CCCNC1=O

nearest known ligand 0.47

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
ROCK1 Q13464 1/20 0.42
SLC26A4 O43511 5/20 0.42
PTGS2 P35354 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 2/20 0.38
P2RY12 Q9H244 1/20 0.38
BLM P54132 1/20 0.38
ATM Q13315 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 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
SCHEMBL24484965 1.00 CASP3 (0.42) CASP3SENP8SENP7SENP6ROCK1
SCHEMBL24484935 0.95 CASP3 (0.44) CASP3SENP8SENP7SENP6ROCK1
SCHEMBL29630085 0.95 CASP3 (0.44) CASP3SENP8SENP7SENP6ROCK1
SCHEMBL29629880 0.88 SLC26A4 (0.45) CASP3SENP8SENP7SENP6ROCK1
SCHEMBL24484936 0.88 SLC26A4 (0.45) CASP3SENP8SENP7SENP6ROCK1
SCHEMBL24484919 0.86 GAA (0.39) CASP3SENP8SENP7SENP6ROCK1
SCHEMBL29630151 0.86 CASP3 (0.41) CASP3SENP8SENP7SENP6ROCK1
SCHEMBL29630083 0.86 GAA (0.39) CASP3SENP8SENP7SENP6ROCK1
SCHEMBL24484926 0.85 ROCK1 (0.39) CASP3SENP8SENP7SENP6ROCK1
SCHEMBL24484996 0.85 ROCK1 (0.39) CASP3SENP8SENP7SENP6ROCK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4251616-A1 HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS Katholieke Universiteit Leuven (BE) 2023-10-04 EP claimed
WO-2022112352-A1 HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO claimed
WO-2022112352-A1 HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed