SCHEMBL30501029

SCHEMBL30501029

COc1cccc2c1C1(c3ccccc3C(=O)c3ccccc31)c1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 6/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
USP2 O75604 1/20 0.44
DUSP3 P51452 1/20 0.44
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 2/20 0.41
ADORA2A P29274 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
FGB P02675 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 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
SCHEMBL995102 0.91 CA1 (0.46) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL30501017 0.81 PTGS2 (0.42) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL16810770 0.77 KCNQ2 (0.42) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL14191206 0.76 CA1 (0.50) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL30501016 0.75 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL30833582 0.75 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL357510 0.75 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL16766189 0.75 PDK2 (0.45) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL995711 0.75 SMN1; SMN2 (0.46) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL16810788 0.74 PDK2 (0.49) MEN1KMT2AMAPTKDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116462579-B Preparation method of spirofluorene anthrone compound 大连理工大学 2024-04-05 CN disclosed
CN-116462579-A Preparation method of spirofluorene anthrone compound 大连理工大学 2023-07-21 CN disclosed