SCHEMBL27628501

SCHEMBL27628501

CC(=NNc1ccccc1)C(=O)NNc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 1/20 0.59
GFER P55789 2/20 0.56
ALOX5 P09917 2/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
GAA P10253 11/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CRHR1 P34998 1/20 0.49
PTGS2 P35354 1/20 0.46
F2 P00734 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.42

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
SCHEMBL5843337 0.83 GAA (0.53) ALDH1A1GFERCYP3A4GAAMAPT
SCHEMBL5845063 0.83 GAA (0.53) ALDH1A1GFERCYP3A4GAAMAPT
SCHEMBL5843334 0.83 GAA (0.53) ALDH1A1GFERCYP3A4GAAMAPT
SCHEMBL3089956 0.80 GFER (0.60) ALDH1A1KDM4EGFERALOX5CYP3A4
SCHEMBL6674219 0.80 GFER (0.60) ALDH1A1KDM4EGFERALOX5CYP3A4
SCHEMBL13434772 0.77 ALDH1A1 (0.69) ALDH1A1KDM4EALOX5CYP3A4TSHR
SCHEMBL8476492 0.77 GFER (0.57) ALDH1A1KDM4EGFERALOX5CYP3A4
SCHEMBL11756546 0.77 GFER (0.57) ALDH1A1KDM4EGFERALOX5CYP3A4
SCHEMBL11517126 0.74 KDM4E (1.00) ALDH1A1KDM4EALOX5CYP3A4TSHR
SCHEMBL425872 0.73 ALOX5 (1.00) ALDH1A1KDM4EALOX5CYP3A4TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108094794-A A kind of complex microorganism drink of relieving alcoholism and protecting liver and preparation method thereof 佛山市艳晖生物科技有限公司 2018-06-01 CN disclosed
CN-104013899-B A kind of Chinese medicine preparation and preparation method for treating liver fibrosis and cirrhosis 吉林大学 2017-05-31 CN disclosed
CN-104643058-A Application of 20(R)-ginsenoside Rg3 in preparation of medicines for improving or/and treating liver cirrhosis diseases FU LI 2015-05-27 CN disclosed
CN-101327000-A New use of bamboo shoot shell extract DONGGUAN JINGHENG LOGISTICS IN (CN) 2008-12-24 CN disclosed
CN-100360549-C Pyracantha extract and its preparation method and uses UNIV JINAN (CN) 2008-01-09 CN disclosed
CN-1765912-A Pyracantha extract and its preparation method and uses UNIV JINAN (CN) 2006-05-03 CN disclosed