SCHEMBL27722333

SCHEMBL27722333

CCc1ccc(C)n2c(NCC(=O)NO)c(CO)nc12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.33
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 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
SCHEMBL27701649 0.87 HDAC1 (0.37) PKMHDAC3HDAC4HDAC1HDAC7
SCHEMBL27722334 0.85 HDAC6 (0.36) PKMHDAC3HDAC1HDAC7HDAC2
SCHEMBL27722222 0.78 ALDH1A1 (0.39) PKMALDH1A1HTT
SCHEMBL27701908 0.74 GRIN1 (0.33) HDAC1ALDH1A1HTT
SCHEMBL27722262 0.73 KMT2A (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27701734 0.72 SMN1; SMN2 (0.41) HDAC8ALDH1A1HTT
SCHEMBL27701899 0.69 GPR139 (0.33) PKMALDH1A1
SCHEMBL27722220 0.68 KDM4E (0.39) ALDH1A1
SCHEMBL27701782 0.68 NRP1 (0.32)
SCHEMBL27722226 0.68 HDAC1 (0.39) HDAC1ALDH1A1

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-101163703-B Imidazo [1,2-A ] pyridine derivatives as Peptide Deformylase (PDF) inhibitors NOVARTIS AG 2010-12-15 CN disclosed
CN-101163703-A Imidazo [1, 2-A ] pyridine derivatives as Peptide Deformylase (PDF) inhibitors NOVARTIS AG (CH) 2008-04-16 CN disclosed