SCHEMBL22730698

SCHEMBL22730698

CC(C)(C)OC(=O)NCc1ccno1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.43
KDM4A O75164 1/20 0.43
NAMPT P43490 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
NR1H4 Q96RI1 2/20 0.42
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
AAK1 Q2M2I8 1/20 0.40
CACNA1H O95180 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1C Q13936 1/20 0.39
CYP3A4 P08684 1/20 0.39
DYRK1A Q13627 1/20 0.39
PCSK9 Q8NBP7 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 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
SCHEMBL7058186 0.85 APLNR (0.39) CTSKKDM4ANAMPTNR1H4CYP1A2
SCHEMBL28387978 0.75 KDM4A (0.42) KDM4ANAMPTL3MBTL1KDM4ELMNA
SCHEMBL8235172 0.75 EPHX2 (0.49) KDM4AL3MBTL1NR1H4CYP1A2KDM4E
SCHEMBL30914650 0.75 KDM4A (0.42) KDM4ANAMPTL3MBTL1NR1H4CYP1A2
SCHEMBL22862323 0.74 HDAC3 (0.43) NAMPTAAK1CYP3A4PCSK9
SCHEMBL216619 0.74 HSD17B10 (0.60) CTSKKDM4E
SCHEMBL18136745 0.74 KDM4A (0.44) KDM4ANAMPTL3MBTL1KDM4ELMNA
SCHEMBL4153485 0.74 KDM4A (0.44) KDM4ANAMPTL3MBTL1KDM4ELMNA
SCHEMBL3028012 0.74 PKM (0.45) KDM4AL3MBTL1CYP1A2KDM4ECYP3A4
SCHEMBL1810190 0.74 NR1H4 (0.45) KDM4AL3MBTL1NR1H4CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3744722-A1 ß-LACTAMASE INHIBITOR AND USE THEREOF Suzhou Sinovent Pharmaceuticals Co., Ltd. (CN) 2020-12-02 EP disclosed