SCHEMBL6749669

SCHEMBL6749669

COC(=O)C(=O)C(=NNc1ccc(Cl)cc1)C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
LMNA P02545 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
NPSR1 Q6W5P4 3/20 0.55
HTT P42858 2/20 0.55
ALOX12 P18054 1/20 0.55
NPY1R P25929 1/20 0.55
NPY2R P49146 1/20 0.55
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
GAA P10253 2/20 0.46
GFER P55789 2/20 0.46
RECQL P46063 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
KDM4E B2RXH2 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KYAT1 Q16773 1/20 0.42
PTGS2 P35354 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
SCHEMBL6749665 1.00 MAPT (0.55) MAPTLMNASMN1; SMN2NPSR1HTT
SCHEMBL6746805 0.95 MAPT (0.49) MAPTLMNASMN1; SMN2NPSR1HTT
SCHEMBL6746807 0.95 MAPT (0.49) MAPTLMNASMN1; SMN2NPSR1HTT
SCHEMBL6745532 0.90 MAPT (0.58) MAPTLMNASMN1; SMN2NPSR1HTT
SCHEMBL6768805 0.90 MAPT (0.58) MAPTLMNASMN1; SMN2NPSR1HTT
SCHEMBL6745002 0.88 CES2 (0.50) MAPTLMNASMN1; SMN2NPSR1HTT
SCHEMBL6748623 0.88 CES2 (0.50) MAPTLMNASMN1; SMN2NPSR1HTT
SCHEMBL6745006 0.88 CES2 (0.50) MAPTLMNASMN1; SMN2NPSR1HTT
SCHEMBL6748624 0.88 CES2 (0.50) MAPTLMNASMN1; SMN2NPSR1HTT
SCHEMBL6746788 0.87 MAPT (0.55) MAPTLMNASMN1; SMN2NPSR1HTT

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