SCHEMBL28416337

SCHEMBL28416337

CC(=NNc1ccccc1)OPOC(C)=NNc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
RAB9A P51151 3/20 0.42
GFER P55789 2/20 0.41
ALDH1A1 P00352 9/20 0.39
MAPT P10636 9/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 2/20 0.38
ALOX5 P09917 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
XDH P47989 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 2/20 0.37
ATM Q13315 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL8977354 0.82 GAA (0.46) GAAKMT2AMEN1RAB9AGFER
SCHEMBL8977349 0.82 GAA (0.46) GAAKMT2AMEN1RAB9AGFER
SCHEMBL3086579 0.74 GAA (0.50) GAAKMT2AMEN1RAB9AGFER
SCHEMBL2915843 0.74 GFER (0.46) GAAKMT2AMEN1RAB9AGFER
SCHEMBL27921381 0.73 GFER (0.42) GAAKMT2AMEN1RAB9AGFER
SCHEMBL17119830 0.71 GAA (0.47) GAAKMT2AMEN1RAB9AGFER
SCHEMBL18774078 0.71 GAA (0.51) GAAKMT2AMEN1RAB9AGFER
SCHEMBL11674433 0.71 GAA (0.47) GAAKMT2AMEN1RAB9AGFER
SCHEMBL9883333 0.71 GAA (0.51) GAAKMT2AMEN1RAB9AGFER
SCHEMBL26537590 0.71 GAA (0.47) GAAKMT2AMEN1RAB9AGFER

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108289794-B Dental adhesive 可乐丽则武齿科株式会社 2021-10-01 CN disclosed
CN-106413667-B Dental adhesive 可乐丽则武齿科株式会社 2020-06-16 CN disclosed