SCHEMBL23749237

SCHEMBL23749237

CNc1ccc2c(c1)C(C)(C)c1cc(NC)ccc1C21OC(=O)c2c(C(=O)OC(C)(C)C)cccc21

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.33
AR P10275 1/20 0.32
EGFR P00533 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NR3C2 P08235 1/20 0.31
FTO Q9C0B1 1/20 0.30
STAT3 P40763 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 1/20 0.30

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
SCHEMBL23749242 0.86 MAPT (0.39) PDK2AREGFRMEN1USP2
SCHEMBL23774775 0.86 RARA (0.34) PDK2ALDH1A1LMNAMAPTKMT2A
SCHEMBL23764914 0.86 FTO (0.35) PDK2MEN1USP2ALDH1A1LMNA
SCHEMBL23749244 0.81 CA12 (0.34) ARMEN1USP2ALDH1A1LMNA
SCHEMBL23749241 0.75 FTO (0.53) EGFRMEN1USP2ALDH1A1LMNA
SCHEMBL23749240 0.74 ALDH1A1 (0.43) PDK2ARMEN1USP2ALDH1A1
SCHEMBL31650879 0.71 SIRT2 (0.40) SIRT2SIRT1
SCHEMBL23749243 0.71 MEN1 (0.45) PDK2ARMEN1USP2ALDH1A1
SCHEMBL23764878 0.70 ALDH1A1 (0.39) PDK2MEN1USP2ALDH1A1LMNA
SCHEMBL23764913 0.68 ALDH1A1 (0.41) PDK2MEN1USP2ALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230104281-A1 FLUORESCENT RHODAMINE DYES WITH ENHANCED CELL PERMEABILITY MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E. V. (DE) 2023-04-06 US disclosed
EP-3865544-A1 FLUORESCENT RHODAMINE DYES WITH ENHANCED CELL PERMEABILITY Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-08-18 EP disclosed