SCHEMBL28522164

SCHEMBL28522164

Cc1ccccc1C1(c2ccccc2)CC12C(=O)Nc1ccc(Br)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.42
SLC27A2 O14975 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ACHE P22303 1/20 0.39
LMNA P02545 5/20 0.39
GAA P10253 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALPL P05186 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
TLR9 Q9NR96 1/20 0.39

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
SCHEMBL28515905 0.88 SLC27A2 (0.46) TP53SLC27A2ADAMTS5MAPTALDH1A1
SCHEMBL29619573 0.88 SLC27A2 (0.46) TP53SLC27A2ADAMTS5MAPTALDH1A1
SCHEMBL28526734 0.85 LMNA (0.42) TP53SLC27A2ADAMTS5MAPTALDH1A1
SCHEMBL29619616 0.81 LMNA (0.40) TP53SLC27A2ADAMTS5MAPTALDH1A1
SCHEMBL28528531 0.81 LMNA (0.42) TP53SLC27A2ADAMTS5MAPTALDH1A1
SCHEMBL29619607 0.77 HTR6 (0.39) ADAMTS5MAPTLMNAMEN1KMT2A
SCHEMBL28519633 0.76 KMT2A (0.40) TP53SLC27A2ADAMTS5MAPTALDH1A1
SCHEMBL29619589 0.75 ADAMTS5 (0.39) TP53SLC27A2ADAMTS5MAPTALDH1A1
SCHEMBL29619574 0.74 HCRTR1 (0.46) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2499492 0.74 BRD4 (0.57) TP53MAPTALDH1A1KDM4ELMNA

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-112250614-B Synthesis method of 3-spiro-tricyclic indolone derivative 苏州大学 2022-02-01 CN disclosed
CN-112250614-A Synthesis method of 3-spiro-tricyclic indolone derivative 苏州大学 2021-01-22 CN disclosed