SCHEMBL29619616

SCHEMBL29619616

Cc1cccc(C2(c3cccc(C)c3)CC23C(=O)Nc2ccc(Br)cc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
ADAMTS5 Q9UNA0 2/20 0.40
PKM P14618 1/20 0.40
SLC27A2 O14975 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 2/20 0.39
GAA P10253 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 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
SCHEMBL28528531 0.86 LMNA (0.42) LMNAADAMTS5PKMSLC27A2ALDH1A1
SCHEMBL29619573 0.86 SLC27A2 (0.46) LMNAADAMTS5PKMSLC27A2ALDH1A1
SCHEMBL28515905 0.86 SLC27A2 (0.46) LMNAADAMTS5PKMSLC27A2ALDH1A1
SCHEMBL29619589 0.86 ADAMTS5 (0.39) LMNAADAMTS5PKMSLC27A2ALDH1A1
SCHEMBL28522164 0.81 TP53 (0.42) LMNAADAMTS5PKMSLC27A2ALDH1A1
SCHEMBL28519633 0.78 KMT2A (0.40) LMNAADAMTS5PKMSLC27A2ALDH1A1
SCHEMBL28526734 0.76 LMNA (0.42) LMNAADAMTS5PKMSLC27A2ALDH1A1
SCHEMBL29619607 0.72 HTR6 (0.39) LMNAADAMTS5MAPTMEN1KMT2A
SCHEMBL29619574 0.69 HCRTR1 (0.46) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL16107692 0.69 HTR6 (0.56) LMNAADAMTS5PKMSLC27A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022082817-A1 3-THREE-MEMBERED SPIROOXINDOLE DERIVATIVE SYNTHESIZING METHOD 苏州大学 2022-04-28 WO disclosed