SCHEMBL6746785

SCHEMBL6746785

COC(=O)C(=O)/C(=N/Nc1ccccc1)C(=O)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.49
ALDH1A1 P00352 5/20 0.49
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
GAA P10253 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 2/20 0.46
CASP6 P55212 1/20 0.46
MAPK1 P28482 2/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
CASP3 P42574 1/20 0.41

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
SCHEMBL6746787 1.00 MAPT (0.49) MAPTALDH1A1RAB9ANPC1GAA
SCHEMBL6768805 0.90 MAPT (0.58) MAPTALDH1A1RAB9ANPC1GAA
SCHEMBL6745532 0.90 MAPT (0.58) MAPTALDH1A1RAB9ANPC1GAA
SCHEMBL6769983 0.88 MAPT (0.50) MAPTALDH1A1RAB9ANPC1GAA
SCHEMBL6769981 0.88 MAPT (0.50) MAPTALDH1A1RAB9ANPC1GAA
SCHEMBL6748721 0.87 MAPT (0.49) MAPTALDH1A1RAB9ANPC1GAA
SCHEMBL6748723 0.87 MAPT (0.49) MAPTALDH1A1RAB9ANPC1GAA
SCHEMBL6746805 0.87 MAPT (0.49) MAPTALDH1A1RAB9ANPC1GAA
SCHEMBL6746807 0.87 MAPT (0.49) MAPTALDH1A1RAB9ANPC1GAA
SCHEMBL6746795 0.87 MAPT (0.56) MAPTALDH1A1RAB9ANPC1GAA

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