SCHEMBL28895437

SCHEMBL28895437

COc1cc(N2CCOCC2)c([N+](=O)[O-])cc1OC(N)=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.53
HTT P42858 2/20 0.52
ALDH1A1 P00352 10/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HPGD P15428 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 2/20 0.47
S1PR1 P21453 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
PAX8 Q06710 1/20 0.46

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
SCHEMBL21816656 0.87 SIRT6 (0.51) MAPTALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL28423582 0.82 RAB9A (0.47) MAPTHTTALDH1A1SMN1; SMN2HPGD
SCHEMBL17670180 0.82 MAPT (0.55) MAPTHTTALDH1A1SMN1; SMN2TDP1
SCHEMBL28481548 0.81 KMT2A (0.44) MAPTHTTALDH1A1SMN1; SMN2HPGD
SCHEMBL12312118 0.80 HTT (0.61) MAPTHTTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL22471048 0.79 HTT (0.54) MAPTHTTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL22471036 0.79 HTT (0.54) MAPTHTTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6816455 0.79 MAPT (0.59) MAPTHTTALDH1A1SMN1; SMN2TDP1
SCHEMBL28836526 0.79 ALDH1A1 (0.52) MAPTHTTALDH1A1SMN1; SMN2TDP1
SCHEMBL28555279 0.78 POLB (0.41) MAPTHTTALDH1A1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111295381-A Intermediate for synthesizing selective inhibitor for resisting protein kinase and preparation method thereof 株式会社柳韩洋行 2020-06-16 CN claimed
CN-116194111-A Heteroaryl derivatives, process for preparing the same, and pharmaceutical compositions containing the same as active ingredient 株式会社沃若诺伊生物 2023-05-30 CN disclosed
CN-111295381-A Intermediate for synthesizing selective inhibitor for resisting protein kinase and preparation method thereof 株式会社柳韩洋行 2020-06-16 CN disclosed