SCHEMBL29629918

SCHEMBL29629918

Cc1ncc(COc2ccc3oc(C)c(C(=O)NC4(C(N)=O)CCC4)c3c2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 4/20 0.42
TSHR P16473 2/20 0.42
SLC26A4 O43511 7/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
BLM P54132 1/20 0.41
ATM Q13315 1/20 0.41
HTT P42858 1/20 0.41
MAPK10 P53779 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 3/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL24485156 1.00 GAA (0.45) GAACASP3SENP8SENP7SENP6
SCHEMBL24485172 0.96 GAA (0.46) GAACASP3SENP8SENP7SENP6
SCHEMBL29629992 0.96 GAA (0.46) GAACASP3SENP8SENP7SENP6
SCHEMBL29630199 0.92 CASP3 (0.45) GAACASP3SENP8SENP7SENP6
SCHEMBL29629905 0.92 GAA (0.41) GAACASP3SENP8SENP7SENP6
SCHEMBL24485415 0.92 GAA (0.41) GAACASP3SENP8SENP7SENP6
SCHEMBL24485406 0.91 GAA (0.45) GAACASP3SENP8SENP7SENP6
SCHEMBL29629971 0.91 GAA (0.45) GAACASP3SENP8SENP7SENP6
SCHEMBL24484860 0.91 KMT2A (0.42) GAACASP3SENP8SENP7SENP6
SCHEMBL29629997 0.91 KMT2A (0.42) 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 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