SCHEMBL28575370

SCHEMBL28575370

COc1cccc2c1-c1c(OC)cccc1C(=O)C2=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.72
KMT2A Q03164 5/20 0.72
MAPT P10636 5/20 0.65
ALDH1A1 P00352 4/20 0.65
APAF1 O14727 1/20 0.65
MITF O75030 1/20 0.65
LMNA P02545 1/20 0.65
HTT P42858 1/20 0.65
EGFR P00533 1/20 0.65
PIM1 P11309 1/20 0.65
KDM4E B2RXH2 1/20 0.63
USP2 O75604 1/20 0.63
DUSP3 P51452 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
TOP1 P11387 1/20 0.62
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
ELANE P08246 2/20 0.57
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56

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
SCHEMBL3417492 0.91 EGFR (0.76) MEN1KMT2AMAPTALDH1A1APAF1
SCHEMBL8947495 0.89 EGFR (0.73) MEN1KMT2AMAPTALDH1A1APAF1
SCHEMBL31435387 0.87 MAPT (0.70) MEN1KMT2AMAPTALDH1A1APAF1
SCHEMBL7792566 0.87 EGFR (0.71) MEN1KMT2AMAPTALDH1A1APAF1
SCHEMBL10974170 0.85 EGFR (0.74) MEN1KMT2AMAPTALDH1A1APAF1
SCHEMBL5816933 0.85 EGFR (0.64) MEN1KMT2AMAPTALDH1A1APAF1
SCHEMBL612831 0.85 MAPT (0.74) MEN1KMT2AMAPTALDH1A1APAF1
SCHEMBL28569052 0.85 MAPT (0.68) MEN1KMT2AMAPTALDH1A1APAF1
SCHEMBL7786291 0.85 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1APAF1
SCHEMBL23271965 0.84 ALDH1A1 (0.62) MEN1KMT2AMAPTALDH1A1APAF1

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
CN-112961176-B Preparation method of boron-dioxygen ring neutral radical compound 南京大学 2022-05-17 CN disclosed
CN-112961176-A Preparation method of boron-dioxygen ring neutral radical compound 南京大学 2021-06-15 CN disclosed