SCHEMBL31033005

SCHEMBL31033005

O=C(O)On1ccc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
TSHR P16473 2/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NOTUM Q6P988 1/20 0.47
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
HTR6 P50406 1/20 0.41
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 2/20 0.38
DAO P14920 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL28226817 1.00 KMT2A (0.49) KMT2ATSHRRAB9AL3MBTL1NOTUM
SCHEMBL10441467 0.84 TSHR (0.53) KMT2ATSHRRAB9AL3MBTL1NOTUM
SCHEMBL28878881 0.83 LMNA (0.47) KMT2ATSHRRAB9AL3MBTL1NOTUM
SCHEMBL4496878 0.83 NOTUM (0.55) KMT2ATSHRRAB9AL3MBTL1NOTUM
SCHEMBL6470773 0.80 NOTUM (0.43) KMT2ATSHRRAB9AL3MBTL1NOTUM
SCHEMBL4630078 0.80 NOTUM (0.47) KMT2ATSHRRAB9AL3MBTL1NOTUM
SCHEMBL4102887 0.80 NOTUM (0.47) KMT2ATSHRRAB9AL3MBTL1NOTUM
SCHEMBL29555898 0.79 KMT2A (0.44) KMT2ATSHRRAB9AL3MBTL1NOTUM
SCHEMBL27962646 0.79 NOTUM (0.46) KMT2ATSHRRAB9AL3MBTL1NOTUM
SCHEMBL28978904 0.78 NOTUM (0.45) KMT2ATSHRRAB9AL3MBTL1NOTUM

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-118388534-A Phosphoryl imino compound and its synthesis and application 湖北大学 2024-07-26 CN disclosed