SCHEMBL28405232

SCHEMBL28405232

Cc1cc[n+](C)c(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.43
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NAMPT P43490 2/20 0.36
MAPT P10636 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
GLS O94925 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
ATM Q13315 1/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.36
HIF1A Q16665 1/20 0.36
HDAC1 Q13547 1/20 0.35
NQO2 P16083 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1C Q13936 1/20 0.35

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 SCHEMBL22366402 0.99 KDM4A (0.42) KDM4APOLBL3MBTL1NAMPTMAPT
SCHEMBL28405161 0.80 KDM4A (0.48) KDM4AL3MBTL1NAMPTGLSATM
SCHEMBL28405237 0.79 MAPT (0.41) KDM4APOLBL3MBTL1NAMPTMAPT
Iodide SCHEMBL22366521 0.79 KDM4A (0.47) KDM4AL3MBTL1NAMPTATMHDAC1
Iodide SCHEMBL22366399 0.78 MAPT (0.41) KDM4APOLBL3MBTL1NAMPTMAPT
SCHEMBL10553465 0.77 IDO1 (0.37) KDM4AMAPTKDM4EGAAALDH1A1
SCHEMBL5015072 0.74 NPC1 (0.54) KDM4AL3MBTL1MAPTLMNAGAA
SCHEMBL15171404 0.72 NPC1 (0.52) KDM4APOLBL3MBTL1KDM4EALDH1A1
SCHEMBL8279661 0.72 POLB (0.53) KDM4APOLBNAMPTMAPTGLS
SCHEMBL5796279 0.71 L3MBTL1 (0.56) L3MBTL1NAMPTMAPTTDP1LMNA

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