SCHEMBL27701656

SCHEMBL27701656

CCc1cccc2nc(C3CC3)c(NCC(=O)NO)n12

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
GRIN1 Q05586 3/20 0.32
GRIN2A Q12879 3/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
MMP12 P39900 1/20 0.31
RAD52 P43351 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL27701833 0.82 HDAC1 (0.35) ALDH1A1TSHRGRIN1GRIN2AKDM4E
SCHEMBL27701766 0.82 GRIN1 (0.34) ALDH1A1TSHRGRIN1GRIN2AKDM4E
SCHEMBL27701908 0.81 GRIN1 (0.33) ALDH1A1GRIN1GRIN2AGAA
SCHEMBL27701657 0.80 HDAC1 (0.36) GRIN1GRIN2A
SCHEMBL27701642 0.79 CHRNA7 (0.32) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27701827 0.78 HDAC1 (0.41)
SCHEMBL27722379 0.78 GRIN1 (0.32) GRIN1GRIN2A
SCHEMBL27701635 0.78 HDAC1 (0.33) GRIN1GRIN2A
SCHEMBL27701632 0.74 HDAC1 (0.35)
SCHEMBL27701686 0.71 HDAC1 (0.35) ALDH1A1TSHRGRIN1GRIN2AKDM4E

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