SCHEMBL29629865

SCHEMBL29629865

Cc1oc2ccc(OCc3cccnc3O)cc2c1C(=O)NC1CNCC1(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC26A4 O43511 4/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SSTR4 P31391 1/20 0.40
HTT P42858 1/20 0.40
ROCK1 Q13464 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL24485710 1.00 SLC26A4 (0.47) SLC26A4MEN1KMT2AMAPTLMNA
SCHEMBL29630057 0.93 SLC26A4 (0.45) SLC26A4MEN1KMT2AMAPTLMNA
SCHEMBL29629914 0.93 SLC26A4 (0.45) SLC26A4MEN1KMT2AMAPTLMNA
SCHEMBL24485564 0.93 SLC26A4 (0.45) SLC26A4MEN1KMT2AMAPTLMNA
SCHEMBL24484407 0.93 SLC26A4 (0.45) SLC26A4MEN1KMT2AMAPTLMNA
SCHEMBL24484478 0.92 SLC26A4 (0.45) SLC26A4MEN1KMT2AMAPTLMNA
SCHEMBL29629922 0.92 SLC26A4 (0.45) SLC26A4MEN1KMT2AMAPTLMNA
SCHEMBL24485071 0.91 SLC26A4 (0.44) SLC26A4MEN1KMT2AMAPTLMNA
SCHEMBL24485723 0.89 SLC26A4 (0.47) SLC26A4MEN1KMT2AMAPTLMNA
SCHEMBL29629827 0.89 SLC26A4 (0.47) SLC26A4MEN1KMT2AMAPTLMNA

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