SCHEMBL24470901

SCHEMBL24470901

COc1ccc2oc(C)c(C(=O)NC3CCNC3=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
POLB P06746 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGDS O60760 3/20 0.52
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TSHR P16473 4/20 0.46
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTGS2 P35354 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL24470623 0.85 SLC26A4 (0.50) GAAPOLBSMN1; SMN2HPGDSTSHR
SCHEMBL29713109 0.85 CASP3 (0.60) TSHRHTTL3MBTL1LMNAMAPT
SCHEMBL24470575 0.85 CASP3 (0.60) TSHRHTTL3MBTL1LMNAMAPT
SCHEMBL24470772 0.85 CASP3 (0.60) TSHRHTTL3MBTL1LMNAMAPT
SCHEMBL24470581 0.85 CASP3 (0.60) TSHRHTTL3MBTL1LMNAMAPT
SCHEMBL29712964 0.85 CASP3 (0.60) TSHRHTTL3MBTL1LMNAMAPT
SCHEMBL29629636 0.84 MAPT (0.47) GAAPOLBSMN1; SMN2HPGDSTSHR
SCHEMBL24484797 0.83 CASP3 (0.46) GAAPOLBSMN1; SMN2HPGDSTSHR
SCHEMBL24470896 0.83 ANO1 (0.50) GAASMN1; SMN2TSHRHTTL3MBTL1
SCHEMBL24485179 0.83 CASP3 (0.46) GAASMN1; SMN2HPGDSTSHRHTT

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-2022112345-A1 ARYL DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed