SCHEMBL27701643

SCHEMBL27701643

Nc1cc(Br)cn2c(NCC(=O)NO)c(Cc3ccccc3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
PLAU P00749 1/20 0.36
MMP1 P03956 1/20 0.36
MMP7 P09237 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
HDAC6 Q9UBN7 3/20 0.35
NPC1 O15118 2/20 0.35
GAA P10253 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
GFER P55789 1/20 0.35
ABCB1 P08183 1/20 0.34
MAPT P10636 2/20 0.33
MEP1B Q16820 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL27722211 0.89 PLAU (0.35) PLAUMMP1MMP7MMP8MMP12
SCHEMBL27722190 0.85 NPC1 (0.32) NPC1GAARAB9AMEN1KMT2A
SCHEMBL27701758 0.84 PLAU (0.40) PLAUMMP1MMP7MMP8MMP12
SCHEMBL27722186 0.84 HDAC1 (0.33) HDAC6NPC1GAARAB9AMEN1
SCHEMBL27722330 0.80 HDAC1 (0.40) HDAC1
SCHEMBL27701807 0.78 PLAU (0.44) PLAUMMP1MMP7MMP8MMP12
SCHEMBL27722212 0.76 PLAU (0.39) PLAUMMP1MMP7MMP8MMP12
SCHEMBL27722215 0.76 PABPC1 (0.34) NPC1GAARAB9AMEN1KMT2A
SCHEMBL28768875 0.76 ALDH1A1 (0.43) NPC1RAB9AMEN1KMT2AHDAC8
SCHEMBL27701698 0.75 HDAC8 (0.45) MEN1KMT2AHDAC8MAPTKDM4E

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