SCHEMBL28700526

SCHEMBL28700526

C=CCC(NC(=O)OC(C)(C)C)c1cc(Br)c2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 2/20 0.41
ALDH1A1 P00352 4/20 0.39
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
LMNA P02545 3/20 0.38
PKM P14618 3/20 0.38
HPGD P15428 3/20 0.38
HTT P42858 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
ACACB O00763 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.38
XBP1 P17861 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL20416924 1.00 KMT2A (0.46) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL29396230 1.00 KMT2A (0.46) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL2768221 0.78 MAPT (0.40) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL20417208 0.78 TOP2A (0.38) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL28700523 0.78 SCN9A (0.40) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL16983093 0.78 AAK1 (0.37) RAB9ANPC1GAAMAPTALDH1A1
SCHEMBL2331441 0.77 MAPT (0.45) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL2331444 0.77 MAPT (0.45) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL28684445 0.77 ACHE (0.37) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL20417009 0.77 ALDH1A1 (0.36) KMT2AMEN1GAAMAPTALDH1A1

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-110062757-B Factor XIa inhibitors and uses thereof 广东东阳光药业有限公司 2022-03-04 CN disclosed