SCHEMBL25909333

SCHEMBL25909333

C=C(C)c1cc(OCCN2CCC3(CC2)C(=O)Nc2ccc(Cl)cc23)cc(F)c1C(C)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 8/20 0.38
MET P08581 3/20 0.37
HTR7 P34969 7/20 0.36
HTR1A P08908 5/20 0.36
HTR2A P28223 5/20 0.36
HTR6 P50406 5/20 0.36
IP6K3 Q96PC2 1/20 0.35
IP6K2 Q9UHH9 1/20 0.35
AXL P30530 1/20 0.34
ALK Q9UM73 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA1D P25100 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34

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
SCHEMBL30507055 0.91 MET (0.41) IP6K1METHTR7HTR1AHTR2A
SCHEMBL30507382 0.91 MET (0.41) IP6K1METHTR7HTR1AHTR2A
SCHEMBL30507077 0.91 MET (0.41) IP6K1METHTR7HTR1AHTR2A
SCHEMBL25316933 0.91 MET (0.41) IP6K1METHTR7HTR1AHTR2A
SCHEMBL25315813 0.91 MET (0.41) IP6K1METHTR7HTR1AHTR2A
SCHEMBL25315817 0.91 MET (0.41) IP6K1METHTR7HTR1AHTR2A
SCHEMBL25318634 0.83 HTR7 (0.42) IP6K1METHTR7HTR1AHTR2A
SCHEMBL30507195 0.83 HTR7 (0.42) IP6K1METHTR7HTR1AHTR2A
SCHEMBL25315963 0.81 HTR7 (0.42) IP6K1METHTR7HTR1AHTR2A
SCHEMBL25316738 0.81 HTR7 (0.42) IP6K1METHTR7HTR1AHTR2A

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-2023141432-A2 APOL1 INHIBITORS AND METHODS OF USE MAZE THERAPEUTICS, INC. (US) 2023-07-27 WO disclosed