SCHEMBL31409613

SCHEMBL31409613

CC(C)(C)OC(=O)n1cc(Br)c2c(Cl)nccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
ATR Q13535 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
HTR6 P50406 1/20 0.34
SSTR4 P31391 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
BCHE P06276 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PIM1 P11309 1/20 0.32
MARK3 P27448 1/20 0.32
MAP4K2 Q12851 1/20 0.32
CAMK2B Q13554 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32

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
SCHEMBL31409645 0.85 POLB (0.42) POLBATRL3MBTL1HSP90AA1HSP90AB1
SCHEMBL31164375 0.78 GABRG2 (0.33) POLBATRL3MBTL1HSP90AA1HSP90AB1
SCHEMBL31409565 0.77 USP30 (0.38) POLBATRL3MBTL1HSP90AA1HSP90AB1
SCHEMBL15695740 0.75 POLB (0.44) POLBATRL3MBTL1HSP90AA1HSP90AB1
SCHEMBL3248285 0.75 L3MBTL1 (0.43) POLBL3MBTL1HTR6PIK3R1PIK3CA
SCHEMBL23748055 0.75 L3MBTL1 (0.45) L3MBTL1HTR6PIK3R1PIK3CABCHE
SCHEMBL30548022 0.75 L3MBTL1 (0.45) L3MBTL1HTR6PIK3R1PIK3CABCHE
SCHEMBL1710746 0.74 PIM1 (0.42) L3MBTL1HTR6BCHEMEN1KMT2A
SCHEMBL23300758 0.74 L3MBTL1 (0.42) L3MBTL1HTR6BCHEMEN1KMT2A
SCHEMBL20508874 0.73 L3MBTL1 (0.36) POLBL3MBTL1HSP90AA1HSP90AB1PIK3R1

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-2025026997-A1 SUBSTITUED BICYCLIC HETEROCYCLIC YAP-TEAD AND/OR TAZ-TEAD INHIBITORS MERCK PATENT GMBH (DE) 2025-02-06 WO disclosed