SCHEMBL29138880

SCHEMBL29138880

O=CN1CCOC[C@@H]1c1ccnc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.36
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
BRAF P15056 10/20 0.33
RAF1 P04049 9/20 0.33
CCR2 P41597 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.32
PIK3CA P42336 2/20 0.32
MTOR P42345 2/20 0.32
CYP17A1 P05093 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
SCHEMBL29138881 1.00 HDAC4 (0.36) HDAC4HDAC8HDAC6HDAC1BRAF
SCHEMBL29138907 0.81 HRH3 (0.37) HDAC4HDAC8HDAC6HDAC1
SCHEMBL29138870 0.77 AKR1C3 (0.39) HDAC8HDAC6HDAC1
SCHEMBL29138796 0.77 AKR1C3 (0.39) HDAC8HDAC6HDAC1
SCHEMBL29138918 0.77 AKR1C3 (0.39) HDAC8HDAC6HDAC1
SCHEMBL29138891 0.77 AR (0.36) HDAC8HDAC6HDAC1PIK3CAMTOR
SCHEMBL29138864 0.77 AR (0.36) HDAC8HDAC6HDAC1PIK3CAMTOR
SCHEMBL29138795 0.75 ATM (0.31) HDAC8HDAC6HDAC1PIK3CAMTOR
SCHEMBL29138862 0.72 HDAC1 (0.38) HDAC8HDAC6HDAC1
SCHEMBL28818473 0.71 HDAC4 (0.45) HDAC4LOXL2CYP17A1

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