SCHEMBL30501022

SCHEMBL30501022

O=C1c2ccccc2C2(c3ccccc31)c1ccccc1-c1cccc(-c3ccccc3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CDC25B P30305 2/20 0.39
KCNQ2 O43526 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
S100A4 P26447 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL25818400 0.90 THRB (0.43) THRBTDP1MEN1KMT2AHDAC4
SCHEMBL28437143 0.86 PDK2 (0.42) THRBTDP1MEN1KMT2ACYP1A2
SCHEMBL697580 0.81 MEN1 (0.47) THRBTDP1MEN1KMT2AMAPT
SCHEMBL30501016 0.80 MEN1 (0.55) THRBTDP1MEN1KMT2ACDC25B
SCHEMBL30833582 0.80 MEN1 (0.55) THRBTDP1MEN1KMT2ACDC25B
SCHEMBL357510 0.80 MEN1 (0.55) THRBTDP1MEN1KMT2ACDC25B
SCHEMBL30501021 0.79 HTR2A (0.37) THRBTDP1MEN1KMT2AMAPT
SCHEMBL22059302 0.79 L3MBTL1 (0.41) THRBTDP1MEN1KMT2AALOX15
SCHEMBL16810788 0.78 PDK2 (0.49) MEN1KMT2ACDC25BKCNQ2CYP1A2
SCHEMBL16810770 0.78 KCNQ2 (0.42) MEN1KMT2ACDC25BKCNQ2CYP1A2

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