SCHEMBL29138795

SCHEMBL29138795

O=CN1CCOC[C@@H]1c1ccc(C(F)(F)F)nn1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PIK3CA P42336 3/20 0.31
MTOR P42345 2/20 0.31
PIK3R1 P27986 1/20 0.31
HDAC6 Q9UBN7 4/20 0.30
HDAC8 Q9BY41 3/20 0.30
HDAC1 Q13547 2/20 0.30
KCNH2 Q12809 1/20 0.30
P2RX3 P56373 2/20 0.30
P2RX2 Q9UBL9 2/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL29138869 0.81 HIF1A (0.39) PIK3CAMTORHDAC6HDAC8
SCHEMBL29138900 0.81 HIF1A (0.39) PIK3CAMTORHDAC6HDAC8
SCHEMBL29138907 0.81 HRH3 (0.37) HDAC6HDAC8HDAC1KCNH2
SCHEMBL29651014 0.80
SCHEMBL29138797 0.77 PIK3CD (0.30) PIK3CAMTOR
SCHEMBL29138880 0.75 HDAC4 (0.36) PIK3CAMTORHDAC6HDAC8HDAC1
SCHEMBL29138881 0.75 HDAC4 (0.36) PIK3CAMTORHDAC6HDAC8HDAC1
SCHEMBL29138918 0.73 AKR1C3 (0.39) HDAC6HDAC8HDAC1
SCHEMBL29138870 0.73 AKR1C3 (0.39) HDAC6HDAC8HDAC1
SCHEMBL29138796 0.73 AKR1C3 (0.39) HDAC6HDAC8HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116888120-A PRMTS inhibitors 美国安进公司 2023-10-13 CN claimed
CN-116888120-A PRMTS inhibitors 美国安进公司 2023-10-13 CN disclosed