SCHEMBL11599074

SCHEMBL11599074

CC(=O)Nc1ccc(NC(=O)C(F)(F)F)cc1NC(C)=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.66
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
RECQL P46063 1/20 0.48
NPY5R Q15761 3/20 0.47
MTNR1B P49286 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL11599081 0.95 L3MBTL1 (0.64) L3MBTL1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL3239869 0.81 L3MBTL1 (0.62) L3MBTL1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL7079342 0.80 L3MBTL1 (0.60) L3MBTL1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL23885115 0.80 L3MBTL1 (0.60) L3MBTL1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL30254315 0.80 L3MBTL1 (0.60) L3MBTL1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL3600530 0.79 L3MBTL1 (0.59) L3MBTL1CYP2C19ALDH1A1SMN1; SMN2MAPT
SCHEMBL11518894 0.78 L3MBTL1 (0.79) L3MBTL1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2979786 0.78 CYP1A2 (0.55) L3MBTL1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6811081 0.77 CYP1A2 (0.67) L3MBTL1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL7078572 0.76 L3MBTL1 (0.56) L3MBTL1CYP1A2CYP2C9CYP2C19ALDH1A1

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
US-4071555-A Benzene-1,3,5-tris-acetoxime and the process for making phloroglucinol therewith AKZONA INCORPORATED (US) 1978-01-31 US disclosed