SCHEMBL28110758

SCHEMBL28110758

Cc1n[nH]nc1CNC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
GFER P55789 3/20 0.43
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38
KDM4A O75164 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1C Q13936 1/20 0.38
CYP1A2 P05177 1/20 0.37
PARP1 P09874 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL17950628 0.85 NPSR1 (0.51) KDM4ELMNAGFERNPSR1ALDH1A1
SCHEMBL17950213 0.82 TDP1 (0.48) KDM4ELMNAGFERNPSR1ALDH1A1
SCHEMBL21503265 0.74 KDM4E (0.47) KDM4ELMNAGFERNPSR1L3MBTL1
SCHEMBL1304462 0.72 KDM4E (0.48) KDM4ELMNAGFERNPSR1L3MBTL1
SCHEMBL17107907 0.71 KDM4E (0.47) KDM4ELMNAGFERNPSR1L3MBTL1
SCHEMBL13977598 0.71 KDM4E (0.49) KDM4ELMNAGFERNPSR1L3MBTL1
SCHEMBL22535987 0.71 TDP1 (0.46) KDM4ELMNAGFERNPSR1L3MBTL1
SCHEMBL13977597 0.70 KDM4E (0.49) KDM4ELMNAGFERNPSR1L3MBTL1
SCHEMBL17107898 0.70 L3MBTL1 (0.50) KDM4ELMNAGFERNPSR1L3MBTL1
SCHEMBL18522580 0.70 CA1 (0.38) KDM4ELMNAGFERL3MBTL1PRMT5

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-106164072-B Monocyclic lactam organic compounds for the treatment of bacterial infections 诺华股份有限公司 2019-10-01 CN disclosed
CN-106164072-A Monocyclic lactam organic compounds for the treatment of bacterial infections 诺华股份有限公司 2016-11-23 CN disclosed