SCHEMBL27701698

SCHEMBL27701698

Cc1cccn2c(NCC(=O)NO)c(Cc3ccccc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.45
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 6/20 0.44
PLA2G1B P04054 1/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL27722212 0.88 PLAU (0.39) HDAC8KDM4EALDH1A1PLA2G1BMAPT
SCHEMBL27701758 0.87 PLAU (0.40) HDAC8PLA2G1BMAPTMEN1KMT2A
SCHEMBL27701734 0.86 SMN1; SMN2 (0.41) HDAC8KDM4EALDH1A1MAPTHTT
SCHEMBL27701722 0.82 HDAC1 (0.41) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL27722334 0.76 HDAC6 (0.36) HDAC8PLA2G1BMEN1KMT2ACYP3A4
SCHEMBL27722227 0.76 NR1H4 (0.45) HDAC8MEN1KMT2A
SCHEMBL27701643 0.75 TSHR (0.37) HDAC8KDM4EALDH1A1MAPTMEN1
SCHEMBL28769725 0.74 ATP4A (0.54) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL27701655 0.74 GAA (0.41) HDAC8KDM4EALDH1A1PLA2G1BMAPT
SCHEMBL28768873 0.74 HDAC6 (0.38) HDAC8KDM4EALDH1A1MEN1KMT2A

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