SCHEMBL27722262

SCHEMBL27722262

Cc1cc(C)n2c(NCC(=O)NO)c(CO)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
CREBBP Q92793 2/20 0.34
MEP1B Q16820 3/20 0.33
KDM4E B2RXH2 1/20 0.32
PDE5A O76074 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 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

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
SCHEMBL27722218 0.87 KMT2A (0.38) KMT2ACREBBPMEP1BKDM4EHDAC1
SCHEMBL27701800 0.86 HDAC1 (0.42) KMT2AHDAC1
SCHEMBL27722222 0.82 ALDH1A1 (0.39) KMT2AKDM4E
SCHEMBL27722224 0.81 KMT2A (0.39) KMT2ACREBBPMEP1BHDAC1
SCHEMBL27701899 0.73 GPR139 (0.33) MEP1B
SCHEMBL27701908 0.73 GRIN1 (0.33) MEP1BPDE5AHDAC1
SCHEMBL27722333 0.73 PKM (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27701782 0.72 NRP1 (0.32) MEP1BKDM4E
SCHEMBL27722391 0.70 GAA (0.40) KDM4EHDAC1
SCHEMBL27722226 0.70 HDAC1 (0.39) CREBBPKDM4EHDAC1

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