SCHEMBL30965233

SCHEMBL30965233

CN(C)CCOCCOc1cc2c(cc1NS(C)(=O)=O)C(=O)N(CCCC(=O)O)C2=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
TDP1 Q9NUW8 2/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
MAOB P27338 1/20 0.34
CHEK1 O14757 1/20 0.34
LMNA P02545 1/20 0.34
TERT O14746 1/20 0.33

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
SCHEMBL30965196 0.94 ALDH1A1 (0.39) KDM4EMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL30965240 0.89 ACLY (0.41) KDM4EMEN1KMT2AGAACASP1
SCHEMBL30965227 0.89 ALDH1A1 (0.40) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL30965216 0.87 KDM4E (0.40) KDM4EMEN1KMT2AGAACASP1
SCHEMBL30965179 0.84 CYP19A1 (0.45) KDM4EMEN1KMT2AGAACASP1
SCHEMBL30965257 0.82 MEN1 (0.47) KDM4EMEN1KMT2AGAACASP1
SCHEMBL30965237 0.81 HPGD (0.43) KDM4EMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL30965250 0.80 RAB9A (0.45) MEN1KMT2AGAACASP1HSD17B10
SCHEMBL30965243 0.79 KDM4E (0.44) KDM4EMEN1KMT2AGAACASP1
SCHEMBL30965153 0.79 CYP19A1 (0.46) KDM4EHSD17B10ALDH1A1SMN1; 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
CN-118125964-A Isoindoline-1, 3-diketone mPGES-1 inhibitor and application thereof 长江大学 2024-06-04 CN disclosed