Sugi Predict

Sugi Predict / Compounds / SCHEMBL27701644

SCHEMBL27701644

SCHEMBL27701644

CCCCc1nc2ccc(C)cn2c1NCC(=O)NO

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 16/20 0.57
▸ NR1H4 Q96RI1 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL27701616 0.88 HDAC1 (0.56) HDAC1
SCHEMBL27722213 0.84 HDAC1 (0.52) HDAC1ALDH1A1
SCHEMBL27722204 0.79 HDAC1 (0.44) HDAC1
SCHEMBL27701912 0.78 HDAC1 (0.49) HDAC1
SCHEMBL27701769 0.78 KDM4E (0.41) HDAC1NR1H4KDM4EALDH1A1RAB9A
SCHEMBL27701800 0.77 HDAC1 (0.42) HDAC1
SCHEMBL27701637 0.77 HDAC1 (0.42) HDAC1KDM4EALDH1A1RAB9A
SCHEMBL27701722 0.76 HDAC1 (0.41) HDAC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL27701631 0.75 HDAC1 (0.42) HDAC1
SCHEMBL27701696 0.74 HDAC1 (0.41) HDAC1KDM4EALDH1A1

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