SCHEMBL27686752

SCHEMBL27686752

CC(C)(C)OC(=O)NC1CN(Cc2ccccc2)CCC1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KCNA3 P22001 1/20 0.47
SCN4A P35499 2/20 0.47
MEN1 O00255 1/20 0.47
MCHR1 Q99705 1/20 0.46
POLB P06746 1/20 0.46
UBE2M P61081 1/20 0.46
DCUN1D1 Q96GG9 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
BCHE P06276 2/20 0.45
NPFFR1 Q9GZQ6 1/20 0.45
NPFFR2 Q9Y5X5 1/20 0.45
SLC18A3 Q16572 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL13349121 1.00 KMT2A (0.54) KMT2AL3MBTL1KCNA3SCN4AMEN1
SCHEMBL2180797 0.91 UBE2M (0.55) KMT2AL3MBTL1KCNA3SCN4AMEN1
SCHEMBL2180793 0.91 UBE2M (0.55) KMT2AL3MBTL1KCNA3SCN4AMEN1
SCHEMBL2180789 0.91 UBE2M (0.55) KMT2AL3MBTL1KCNA3SCN4AMEN1
SCHEMBL1470556 0.90 KMT2A (0.55) KMT2AL3MBTL1KCNA3SCN4AMEN1
SCHEMBL1470555 0.90 KMT2A (0.55) KMT2AL3MBTL1KCNA3SCN4AMEN1
SCHEMBL556530 0.90 KMT2A (0.55) KMT2AL3MBTL1KCNA3SCN4AMEN1
SCHEMBL565485 0.90 KMT2A (0.55) KMT2AL3MBTL1KCNA3SCN4AMEN1
SCHEMBL15765888 0.90 KMT2A (0.55) KMT2AL3MBTL1KCNA3SCN4AMEN1
SCHEMBL13631065 0.90 KMT2A (0.54) KMT2AL3MBTL1KCNA3MEN1UBE2M

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-101070322-A 7-(4-nitroyl-3-amino-1-piperidyl) quinolinecarboxylic acid derivative, its preparing method and use MEDICINE BIOLOG TECHNOLOGY I C (CN) 2007-11-14 CN disclosed