SCHEMBL29758010

SCHEMBL29758010

O=C1CCCN1c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.67
L3MBTL1 Q9Y468 4/20 0.67
HPGD P15428 1/20 0.67
KDM4E B2RXH2 3/20 0.66
GAA P10253 2/20 0.66
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
ALDH1A1 P00352 5/20 0.62
MAPK1 P28482 4/20 0.62
HTT P42858 4/20 0.62
LMNA P02545 6/20 0.51
POLB P06746 2/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 4/20 0.50

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
SCHEMBL23466602 1.00 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1HPGDKDM4EGAA
SCHEMBL419126 0.83 L3MBTL1 (0.51) SMN1; SMN2L3MBTL1HPGDKDM4EGAA
SCHEMBL10625637 0.81 MAPK1 (0.57) SMN1; SMN2L3MBTL1HPGDKDM4EGAA
SCHEMBL677962 0.80 KDM4E (1.00) SMN1; SMN2L3MBTL1HPGDKDM4EGAA
SCHEMBL29805501 0.79 KDM4E (0.60) SMN1; SMN2L3MBTL1HPGDKDM4EGAA
SCHEMBL2193401 0.79 KMT2A (0.47) SMN1; SMN2L3MBTL1HPGDKDM4EGAA
SCHEMBL10623794 0.78 MAPK1 (0.60) SMN1; SMN2L3MBTL1HPGDKDM4EGAA
SCHEMBL29758112 0.77 KMT2A (0.63) SMN1; SMN2L3MBTL1HPGDKDM4EGAA
SCHEMBL23486528 0.77 ALDH1A1 (1.00) SMN1; SMN2L3MBTL1KDM4EGAACYP1A2
SCHEMBL560040 0.77 KMT2A (0.63) SMN1; SMN2L3MBTL1HPGDKDM4EGAA

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-114728917-B Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-12-08 CN disclosed
CN-114728917-A Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-07-08 CN disclosed