SCHEMBL8743563

SCHEMBL8743563

Nc1nc(Cl)c2ncn(CC(F)(F)CC(O)CO)c2n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.44
HDAC1 Q13547 7/20 0.44
HDAC4 P56524 4/20 0.44
HSP90AA1 P07900 10/20 0.43
HSP90AB1 P08238 10/20 0.43
HDAC3 O15379 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41

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
SCHEMBL8743564 0.80 BLM (0.57)
SCHEMBL10756719 0.79 HDAC6 (0.48) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL8743585 0.78 HDAC6 (0.43) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL8743523 0.77 HDAC6 (0.46) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL3854007 0.75 HSP90AB1 (0.51) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL6884460 0.74 HSP90AB1 (0.55) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL10918545 0.73 HDAC6 (0.47) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL31058755 0.73 HDAC6 (0.54) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL11033158 0.73 HSP90AB1 (0.44) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL2916968 0.73 HDAC6 (0.49) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335770-B1 Novel fluorophosphonate nucleotide derivatives MERRELL PHARMA INC (US) 1997-01-15 EP disclosed
EP-0339161-A1 Novel fluorophosphonate nucleotide derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1989-11-02 EP disclosed
EP-0335770-A2 Novel fluorophosphonate nucleotide derivatives MERRELL PHARMACEUTICALS INC. (US) 1989-10-04 EP disclosed