SCHEMBL28281127

SCHEMBL28281127

O=C(NC(CO)(c1ccccc1)c1ccccc1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
P2RX7 Q99572 1/20 0.46
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL15552484 0.82 KMT2A (0.55) KMT2AMEN1SMN1; SMN2LMNACA12
SCHEMBL5500086 0.82 KMT2A (0.55) KMT2AMEN1SMN1; SMN2LMNACA12
SCHEMBL1455608 0.82 MEN1 (0.56) KMT2AMEN1SMN1; SMN2LMNACA12
SCHEMBL10887763 0.80 MEN1 (0.47) KMT2AMEN1SMN1; SMN2LMNACA12
SCHEMBL11588974 0.79 KMT2A (0.52) KMT2AMEN1SMN1; SMN2LMNACA12
SCHEMBL27791880 0.79 MEN1 (0.56) KMT2AMEN1SMN1; SMN2LMNACA12
SCHEMBL567578 0.79 MEN1 (0.56) KMT2AMEN1SMN1; SMN2LMNACA12
SCHEMBL6154376 0.78 MEN1 (0.55) KMT2AMEN1SMN1; SMN2LMNACA12
SCHEMBL6154384 0.78 MEN1 (0.55) KMT2AMEN1SMN1; SMN2LMNACA12
SCHEMBL4710059 0.77 CTSS (0.54) KMT2AMEN1SMN1; SMN2LMNACA12

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-109415355-A Benzdioxan derivative and its medicinal usage 奥赖恩公司 2019-03-01 CN disclosed