SCHEMBL6745532

SCHEMBL6745532

COC(=O)C(=O)C(=NNc1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.58
ALDH1A1 P00352 7/20 0.58
LMNA P02545 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
ALOX12 P18054 1/20 0.42
NPY1R P25929 1/20 0.42
HTT P42858 1/20 0.42
NPY2R P49146 1/20 0.42
GAA P10253 7/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GFER P55789 2/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6768805 1.00 MAPT (0.58) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL6769983 0.92 MAPT (0.50) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL6769981 0.92 MAPT (0.50) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL6751574 0.90 MAPT (0.62) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL6746785 0.90 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL6746805 0.90 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL6746796 0.90 MAPT (0.56) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL6748723 0.90 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL6748721 0.90 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL6746795 0.90 MAPT (0.56) MAPTALDH1A1LMNASMN1; SMN2NPSR1

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