SCHEMBL27701649

SCHEMBL27701649

CCCCc1nc2c(CC)ccc(C)n2c1NCC(=O)NO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.37
MMP1 P03956 2/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
PKM P14618 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31

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
SCHEMBL27722333 0.87 PKM (0.33) HDAC1PKMHDAC3HDAC4HDAC7
SCHEMBL27722334 0.83 HDAC6 (0.36) HDAC1PKMHDAC3HDAC7HDAC2
SCHEMBL27701637 0.81 HDAC1 (0.42) HDAC1PKM
SCHEMBL27701800 0.76 HDAC1 (0.42) HDAC1
SCHEMBL27722204 0.76 HDAC1 (0.44) HDAC1
SCHEMBL27701722 0.76 HDAC1 (0.41) HDAC1
SCHEMBL27701827 0.76 HDAC1 (0.41) HDAC1GABRPGABRDGABRA1GABRB1
SCHEMBL27701631 0.74 HDAC1 (0.42) HDAC1
SCHEMBL27722197 0.73 HDAC1 (0.41) HDAC1
SCHEMBL27701696 0.73 HDAC1 (0.41) HDAC1

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