SCHEMBL27828136

SCHEMBL27828136

CCOC(=O)C(Cc1ccc(OC(N)=O)cc1F)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 6/20 0.36
MEN1 O00255 4/20 0.36
PRSS1 P07477 1/20 0.35
TMPRSS15 P98073 1/20 0.35
MAOB P27338 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TDP1 Q9NUW8 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
PRKCZ Q05513 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
MAPK1 P28482 2/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL2052756 0.86 L3MBTL1 (0.45) TSHRALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3770522 0.82 ALDH1A1 (0.43) TSHRALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3778951 0.80 ALDH1A1 (0.41) TSHRALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3767006 0.79 LMNA (0.51) ALDH1A1KMT2AMEN1MAOBL3MBTL1
SCHEMBL27459179 0.79 MEN1 (0.43) KMT2AMEN1PRSS1TMPRSS15MAOB
SCHEMBL27688160 0.78 MEN1 (0.48) KMT2AMEN1PRSS1TMPRSS15MAOB
SCHEMBL26288558 0.77 ALDH1A1 (0.43) TSHRALDH1A1SMN1; SMN2KMT2AMMP8
SCHEMBL10708094 0.77 PRSS1 (0.41) KMT2AMEN1PRSS1TMPRSS15MAOB
SCHEMBL2842757 0.77 DPP4 (0.45) TSHRALDH1A1SMN1; SMN2KMT2ACYP3A4
SCHEMBL6587934 0.76 KMT2A (0.47) TSHRALDH1A1SMN1; SMN2KMT2AMAOB

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-103342682-A Intermediate for preparing pyrimidine derivatives ASTRAZENECA AB 2013-10-09 CN disclosed
CN-101925584-B Pyrimidine Derivatives for the Treatment of Asthma, COPD, Allergic Rhinitis, Allergic Conjunctivitis, Atopic Dermatitis, Cancer, Hepatitis B, Hepatitis C, HIV, HPV, Bacterial Infections and Skin Diseases ASTRAZENECA AB 2013-04-17 CN disclosed
CN-101925584-A Pyrimidine Derivatives for the Treatment of Asthma, COPD, Allergic Rhinitis, Allergic Conjunctivitis, Atopic Dermatitis, Cancer, Hepatitis B, Hepatitis C, HIV, HPV, Bacterial Infections and Skin Diseases ASTRAZENECA AB 2010-12-22 CN disclosed