SCHEMBL24485686

SCHEMBL24485686

Cc1oc2ccc(OCc3ccccn3)cc2c1C(=O)NC1(CO)CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
SLC26A4 O43511 7/20 0.46
PTGS2 P35354 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
TSHR P16473 2/20 0.42
ROCK1 Q13464 1/20 0.42
BLM P54132 1/20 0.41
ATM Q13315 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL29629923 1.00 CASP3 (0.47) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL24485717 0.96 CASP3 (0.48) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL29630183 0.96 CASP3 (0.48) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL29629696 0.93 CASP3 (0.46) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL24484791 0.93 CASP3 (0.46) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL24485637 0.92 CASP3 (0.48) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL29629917 0.92 CASP3 (0.48) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL24485632 0.91 CASP3 (0.45) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL29629894 0.91 CASP3 (0.45) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL30719729 0.87 L3MBTL1 (0.38) PTGS2L3MBTL1TSHRKDM4ESMN1; SMN2

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