SCHEMBL24323979

SCHEMBL24323979

COc1ccc(Cn2cc(Cl)nc(C#CC(C)C)c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
NPBWR1 P48145 4/20 0.40
LMNA P02545 1/20 0.40
CMA1 P23946 1/20 0.40
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MCHR1 Q99705 1/20 0.37
CYP3A4 P08684 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL20893641 0.87 MAPT (0.43) MAPTTP53NPBWR1LMNACMA1
SCHEMBL20893619 0.85 MAPT (0.42) MAPTTP53NPBWR1LMNACMA1
SCHEMBL26128557 0.85 MAPT (0.42) MAPTTP53NPBWR1LMNACMA1
SCHEMBL20902732 0.83 MAPT (0.44) MAPTTP53NPBWR1LMNACMA1
SCHEMBL26127236 0.82 BRD4 (0.40) MAPTTP53NPBWR1LMNACMA1
SCHEMBL26127959 0.81 CYP11B2 (0.40) MAPTTP53NPBWR1LMNACMA1
SCHEMBL26125026 0.80 BRD4 (0.39) MAPTTP53NPBWR1LMNACMA1
SCHEMBL26125903 0.79 ALDH1A1 (0.34) MAPTTP53NPBWR1LMNAPDE1A
SCHEMBL26129302 0.79 CYP11B2 (0.39) MAPTTP53NPBWR1LMNACMA1
SCHEMBL644390 0.79 MAPT (0.49) MAPTTP53NPBWR1LMNACMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025076235-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-04-10 WO disclosed
EP-4504739-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2025-02-12 EP disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 WO disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 WO disclosed
EP-4225765-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
CN-116601158-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-15 CN disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed