SCHEMBL28405237

SCHEMBL28405237

Cc1ccc(CNC(=O)OC(C)(C)C)[n+](C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4A O75164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 7/20 0.38
CA12 O43570 6/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA2 P00918 6/20 0.38
CA9 Q16790 5/20 0.38
NAMPT P43490 2/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NQO2 P16083 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
Iodide SCHEMBL22366399 0.99 MAPT (0.41) MAPTTDP1KDM4AL3MBTL1CA1
SCHEMBL28405232 0.79 KDM4A (0.43) MAPTTDP1KDM4AL3MBTL1NAMPT
SCHEMBL28405161 0.78 KDM4A (0.48) KDM4AL3MBTL1CA1CA12CA7
Iodide SCHEMBL22366402 0.78 KDM4A (0.42) MAPTTDP1KDM4AL3MBTL1NAMPT
Iodide SCHEMBL22366521 0.77 KDM4A (0.47) KDM4AL3MBTL1CA1CA12CA7
SCHEMBL5796279 0.75 L3MBTL1 (0.56) MAPTTDP1L3MBTL1CA1CA2
Acetic Acid SCHEMBL8138998 0.72 SMN1; SMN2 (0.53) MAPTTDP1L3MBTL1CA1CA12
SCHEMBL5015072 0.72 NPC1 (0.54) MAPTKDM4AL3MBTL1LMNAGAA
SCHEMBL3180689 0.71 L3MBTL1 (0.61) MAPTTDP1KDM4AL3MBTL1CA1
SCHEMBL15171404 0.71 NPC1 (0.52) KDM4AL3MBTL1KDM4EPOLB

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
CN-111225917-A Substituted imidazopyridine amides and uses thereof 拜耳股份公司 2020-06-02 CN disclosed