SCHEMBL6748723

SCHEMBL6748723

COC(=O)C(=O)C(=NNc1ccccc1)C(=O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.49
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 7/20 0.49
LMNA P02545 4/20 0.48
MAPK1 P28482 2/20 0.48
GAA P10253 5/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.40
HPGD P15428 2/20 0.40
CYP2C9 P11712 1/20 0.40
GFER P55789 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL6748721 1.00 MAPT (0.49) MAPTMEN1KMT2AL3MBTL1HTT
SCHEMBL6745532 0.90 MAPT (0.58) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL6768805 0.90 MAPT (0.58) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL6769981 0.88 MAPT (0.50) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6769983 0.88 MAPT (0.50) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6746796 0.87 MAPT (0.56) MAPTMEN1KMT2AL3MBTL1HTT
SCHEMBL6746785 0.87 MAPT (0.49) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6746795 0.87 MAPT (0.56) MAPTMEN1KMT2AL3MBTL1HTT
SCHEMBL6746805 0.87 MAPT (0.49) MAPTMEN1KMT2AL3MBTL1HTT
SCHEMBL6746807 0.87 MAPT (0.49) MAPTMEN1KMT2AL3MBTL1HTT

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
US-6713503-B1 1-(2,4-DIMETHYL-PHENYL)-2,4-DIHYDROXY-3-(4-METHYL-BENZOYL)-5-OXO-2,5 -DIHYDRO-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER UNIVERSITY OF CENTRAL FLORIDA 2004-03-30 US disclosed
US-6703426-B1 4-(4-CHLORO-PHENYL)-2,4-DIOXO-3- (PHENYL-HYDRAZONO)-BUTYRIC ACID ETHYL ESTER IS ADMINISTERED UNIVERSITY OF CENTRAL FLORIDA 2004-03-09 US disclosed
US-6602907-B1 Treatment of breast cancer UNIVERSITY OF CENTRAL FLORIDA 2003-08-05 US disclosed