SCHEMBL28405161

SCHEMBL28405161

C[n+]1ccccc1CNC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.48
NAMPT P43490 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ATM Q13315 1/20 0.41
KCNA5 P22460 1/20 0.41
MALT1 Q9UDY8 1/20 0.40
IDO1 P14902 1/20 0.40
HDAC1 Q13547 2/20 0.39
BCHE P06276 1/20 0.39
SYK P43405 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CYP1A2 P05177 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GLS O94925 1/20 0.38

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 SCHEMBL22366521 0.99 KDM4A (0.47) KDM4ANAMPTCA12CA1CA7
SCHEMBL13199871 0.84 KDM4A (0.47) KDM4ANAMPTCA12CA1CA7
SCHEMBL18768485 0.83 KDM4A (0.46) KDM4ANAMPTCA12CA1CA7
SCHEMBL26703790 0.82 KDM4A (0.48) KDM4ANAMPTCA12CA1CA7
SCHEMBL28405232 0.80 KDM4A (0.43) KDM4ANAMPTATMKCNA5HDAC1
Iodide SCHEMBL22366402 0.79 KDM4A (0.42) KDM4ANAMPTATMKCNA5HDAC1
SCHEMBL28405237 0.78 MAPT (0.41) KDM4ANAMPTCA12CA1CA7
Iodide SCHEMBL22366399 0.77 MAPT (0.41) KDM4ANAMPTCA12CA1CA7
SCHEMBL30159605 0.76 KCNA5 (0.56) KDM4ANAMPTCA12CA1CA7
SCHEMBL8018113 0.76 KCNA5 (0.56) KDM4ANAMPTCA12CA1CA7

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