SCHEMBL28216488

SCHEMBL28216488

O=C(O)Nc1cccc(C(=O)c2ccc(F)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.62
KCNK9 Q9NPC2 1/20 0.62
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 2/20 0.54
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
EPHX2 P34913 1/20 0.52
RAB9A P51151 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPC1 O15118 1/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL12096453 0.88 L3MBTL1 (0.68) KCNK3KCNK9KMT2AMEN1L3MBTL1
SCHEMBL7785693 0.86 MAPT (0.63) KCNK3KCNK9KMT2AMEN1L3MBTL1
SCHEMBL17950520 0.81 ATM (0.75) KCNK3KCNK9KMT2AMEN1L3MBTL1
SCHEMBL14392191 0.81 MAPK13 (0.66) KCNK3KCNK9KMT2AMEN1L3MBTL1
SCHEMBL209624 0.80 ATM (0.67) KCNK3KCNK9KMT2AMEN1L3MBTL1
SCHEMBL22529980 0.78 PTPN1 (0.66) KMT2AMEN1L3MBTL1RAB9ANPC1
SCHEMBL2512416 0.78 ATM (0.63) KCNK3KCNK9KMT2AMEN1L3MBTL1
SCHEMBL1814173 0.77 KCNK3 (0.82) KCNK3KCNK9KMT2AMEN1L3MBTL1
SCHEMBL20491276 0.77 SMN1; SMN2 (0.63) KCNK3KCNK9KMT2AMEN1GAA
SCHEMBL23932088 0.77 KMT2A (0.66) KCNK3KCNK9KMT2AMEN1L3MBTL1

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-108069976-A A kind of nitrogenous macrocyclic compounds, its preparation method, pharmaceutical composition and application 山东罗欣药业集团股份有限公司 2018-05-25 CN disclosed