SCHEMBL27701637

SCHEMBL27701637

CCCCc1nc2cccc(C)n2c1NCC(=O)NO

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.42
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34

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
SCHEMBL27701631 0.89 HDAC1 (0.42) HDAC1AGTR1AGTR2
SCHEMBL27722216 0.88 HDAC1 (0.41) HDAC1AGTR1AGTR2
SCHEMBL27722197 0.88 HDAC1 (0.41) HDAC1AGTR1AGTR2
SCHEMBL27701827 0.88 HDAC1 (0.41) HDAC1AGTR1AGTR2
SCHEMBL27722222 0.86 ALDH1A1 (0.39) ALDH1A1LMNAPKMRAB9AKDM4E
SCHEMBL27701800 0.84 HDAC1 (0.42) HDAC1
SCHEMBL27722204 0.83 HDAC1 (0.44) HDAC1
SCHEMBL27722391 0.83 GAA (0.40) HDAC1ALDH1A1LMNAPKMRAB9A
SCHEMBL27701632 0.81 HDAC1 (0.35) HDAC1
SCHEMBL27701649 0.81 HDAC1 (0.37) HDAC1PKM

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