SCHEMBL27701769

SCHEMBL27701769

Cc1ccc2nc(C(C)(C)C)c(NCC(=O)NO)n2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC1 Q13547 7/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
NR1H4 Q96RI1 6/20 0.39
LMNA P02545 1/20 0.38
ALB P02768 1/20 0.38
CYP3A4 P08684 1/20 0.38
CHRM1 P11229 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL27722223 0.88 GAA (0.49) KDM4EALDH1A1RAB9ASMN1; SMN2HDAC1
SCHEMBL27701785 0.87 HDAC1 (0.39) KDM4EALDH1A1RAB9ASMN1; SMN2HDAC1
SCHEMBL27701843 0.87 TRPA1 (0.46) RAB9AHDAC1GABRA1GABRB2NPC1
SCHEMBL27701660 0.87 GAA (0.46) KDM4EALDH1A1RAB9ASMN1; SMN2HDAC1
SCHEMBL27722214 0.87 HDAC1 (0.39) RAB9AHDAC1NPC1GAAGFER
SCHEMBL27701644 0.78 HDAC1 (0.57) KDM4EALDH1A1RAB9ASMN1; SMN2HDAC1
SCHEMBL27722199 0.77 KDM4E (0.39) KDM4EALDH1A1RAB9ASMN1; SMN2HDAC1
SCHEMBL27722263 0.77 HDAC1 (0.35) HDAC1
SCHEMBL27722205 0.76 ALDH1A1 (0.36) KDM4EALDH1A1RAB9ASMN1; SMN2HDAC1
SCHEMBL27722224 0.76 KMT2A (0.39) HDAC1

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