SCHEMBL27701686

SCHEMBL27701686

CCc1nc2cccc(Br)n2c1NCC(=O)NO

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.35
GPR139 Q6DWJ6 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
PLAU P00749 1/20 0.33
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
GAA P10253 2/20 0.31
NPC1 O15118 1/20 0.31
GFER P55789 1/20 0.31
MEP1B Q16820 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CENPE Q02224 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
SCHEMBL27701899 0.89 GPR139 (0.33) GPR139RAB9AALDH1A1LMNAPKM
SCHEMBL27701631 0.88 HDAC1 (0.42) HDAC1
SCHEMBL27701833 0.88 HDAC1 (0.35) HDAC1GRIN1GRIN2APLAUALDH1A1
SCHEMBL27722377 0.87 GPR139 (0.37) HDAC1GPR139RAB9AALDH1A1LMNA
SCHEMBL27701832 0.86 POLB (0.39) HDAC1PLAUALDH1A1GAAMEP1B
SCHEMBL27722187 0.85 GPR139 (0.38) HDAC1GPR139GRIN1GRIN2ARAB9A
SCHEMBL27722270 0.84 HDAC6 (0.39) HDAC1PLAUMEP1B
SCHEMBL27701639 0.81 HDAC1 (0.35) HDAC1GPR139
SCHEMBL27722260 0.81 HDAC1 (0.36) HDAC1PLAURAB9AGAANPC1
SCHEMBL27701908 0.81 GRIN1 (0.33) HDAC1GRIN1GRIN2ARAB9AALDH1A1

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