SCHEMBL6748713

SCHEMBL6748713

Cc1ccc(C(=O)C2=NN(c3ccccc3)C(=O)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
KAT8 Q9H7Z6 4/20 0.44
AKR1C3 P42330 1/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
GLA P06280 1/20 0.43
TNNI3 P19429 1/20 0.43
CRHBP P24387 1/20 0.43
TNNT2 P45379 1/20 0.43
TNNC1 P63316 1/20 0.43
CRHR2 Q13324 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 1/20 0.43
SRD5A2 P31213 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42

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
SCHEMBL6749800 0.87 MAPT (0.49) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL6734973 0.80 KAT8 (0.43) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL6739597 0.79 POLB (0.49) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL6733203 0.76 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL6727745 0.75 ALDH1A1 (0.60) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL6733808 0.73 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL6731372 0.72 KMT2A (0.64) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL6731189 0.72 KMT2A (0.47) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL6748840 0.71 KDM4A (0.42) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL6728136 0.71 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTGAA

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 4 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-6638975-B1 Treatment of breast cancer UNIVERSITY OF CENTRAL FLORIDA 2003-10-28 US disclosed
US-6602907-B1 Treatment of breast cancer UNIVERSITY OF CENTRAL FLORIDA 2003-08-05 US disclosed