SCHEMBL10964506

SCHEMBL10964506

COC(=O)c1ccccc1NC(=O)NC(CC(C)C)C(=O)OC

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.70
ALDH1A1 P00352 5/20 0.70
HPGD P15428 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.64
ANPEP P15144 4/20 0.57
GAA P10253 2/20 0.56
KMT2A Q03164 1/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL10964500 1.00 KDM4E (0.70) KDM4EALDH1A1HPGDSMN1; SMN2ANPEP
SCHEMBL2669219 0.90 KDM4E (0.62) KDM4EALDH1A1HPGDSMN1; SMN2ANPEP
SCHEMBL10364634 0.90 KDM4E (0.62) KDM4EALDH1A1HPGDSMN1; SMN2ANPEP
SCHEMBL31161054 0.87 KDM4E (0.69) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL74870 0.83 ANPEP (0.81) ALDH1A1ANPEPCA12CA1CA2
SCHEMBL74871 0.83 ANPEP (0.81) ALDH1A1ANPEPCA12CA1CA2
SCHEMBL31160975 0.82 KDM4E (1.00) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL31160801 0.82 KDM4E (1.00) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL10363008 0.81 KDM4E (0.57) KDM4EALDH1A1HPGDSMN1; SMN2ANPEP
SCHEMBL10362881 0.81 KDM4E (0.76) KDM4EALDH1A1HPGDSMN1; SMN2GAA

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
EP-0147211-A2 4H-3,1-benzoxazin-4-ones and related compounds, pharmaceutical compositions containing them, and processes for their preparation SYNTEX (U.S.A.) INC. (US) 1985-07-03 EP disclosed