SCHEMBL23399609

SCHEMBL23399609

COc1ccc(-n2nc(O)cc2CC(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KCNH2 Q12809 2/20 0.41
KDM4E B2RXH2 2/20 0.39
PDE4D Q08499 1/20 0.39
RPA1 P27694 1/20 0.39
CCKAR P32238 5/20 0.38
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
HPGD P15428 1/20 0.38
BACE1 P56817 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
HIF1A Q16665 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL23399465 0.84 LMNA (0.45) LMNAALDH1A1PDE4DRPA1PTGS1
SCHEMBL23401563 0.84 CACNA1G (0.40) LMNAALDH1A1KCNH2KDM4EHSD17B10
SCHEMBL23401534 0.82 LMNA (0.44) LMNAALDH1A1PDE4DRPA1PTGS1
SCHEMBL23402955 0.82 KCNH2 (0.52) ALDH1A1KCNH2CACNA1GCACNA1H
SCHEMBL23403242 0.80 LMNA (0.42) LMNAALDH1A1KDM4EPDE4DRPA1
SCHEMBL23398679 0.78 LMNA (0.45) LMNAALDH1A1KDM4ERPA1PTGS1
SCHEMBL23401297 0.75 LMNA (0.53) LMNAALDH1A1KDM4EPDE4DRPA1
SCHEMBL23403191 0.74 ALDH1A1 (0.43) LMNAALDH1A1KCNH2RPA1HSD17B10
SCHEMBL14554235 0.74 LMNA (0.69) LMNAALDH1A1PDE4DRPA1PTGS1
SCHEMBL23403131 0.73 LMNA (0.41) LMNAALDH1A1KDM4EPDE4DCCKAR

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed