SCHEMBL25908768

SCHEMBL25908768

C=C(C)c1cc(OCCN2CCC3(CC2)C(=O)Nc2ccc(C#N)cc23)cc(F)c1S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.38
PGR P06401 6/20 0.37
KCNA5 P22460 5/20 0.34
TRPV4 Q9HBA0 2/20 0.34
IP6K1 Q92551 1/20 0.34
FLT3 P36888 1/20 0.33
DRD2 P14416 1/20 0.32
ADRA1D P25100 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 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
SCHEMBL25317063 0.91 PGR (0.41) ALKPGRKCNA5TRPV4IP6K1
SCHEMBL25908381 0.87 HTR1A (0.41) DRD2ADRA1DSLC6A4ADRA1AADRA1B
SCHEMBL25317118 0.84 ALK (0.41) ALKPGRKCNA5IP6K1
SCHEMBL25317462 0.83 ALK (0.42) ALKPGRTRPV4DRD2ADRA1D
SCHEMBL30507496 0.83 ALK (0.42) ALKPGRTRPV4DRD2ADRA1D
SCHEMBL26043799 0.83 PGR (0.42) ALKPGRKCNA5TRPV4IP6K1
SCHEMBL25317352 0.83 PGR (0.40) ALKPGRKCNA5TRPV4IP6K1
SCHEMBL25317489 0.83 PGR (0.40) ALKPGRKCNA5TRPV4IP6K1
SCHEMBL25317873 0.83 PGR (0.40) ALKPGRKCNA5TRPV4IP6K1
SCHEMBL25316629 0.83 PGR (0.40) ALKPGRKCNA5TRPV4IP6K1

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