SCHEMBL6749800

SCHEMBL6749800

O=C1C(=O)N(c2ccccc2)N=C1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
HTT P42858 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NR4A1 P22736 1/20 0.43
TLR9 Q9NR96 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
SRD5A2 P31213 1/20 0.41
PTGS2 P35354 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ITGA1 P56199 1/20 0.39
POLB P06746 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
SCHEMBL6748713 0.87 MEN1 (0.47) MAPTHTTCYP2C9CYP2C19MEN1
SCHEMBL6739597 0.78 POLB (0.49) MAPTHTTCYP2C9MEN1KMT2A
SCHEMBL6732799 0.72 MAPT (0.44) MAPTHTTMEN1KMT2APTGS2
SCHEMBL418889 0.72 MAPT (0.47) MAPTHTTCYP2C9CYP2C19MEN1
SCHEMBL6733203 0.72 MEN1 (0.45) MAPTCYP2C9CYP2C19MEN1KMT2A
SCHEMBL6735096 0.70 MEN1 (0.46) MAPTHTTMEN1KMT2AL3MBTL1
SCHEMBL6727745 0.69 ALDH1A1 (0.60) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL50462 0.68 SRD5A2 (0.74) MAPTMEN1KMT2AL3MBTL1NR4A1
SCHEMBL9442387 0.68 SRD5A2 (0.74) MAPTMEN1KMT2AL3MBTL1NR4A1
Hydrochloric Acid SCHEMBL4594202 0.66 SRD5A2 (0.71) MAPTMEN1KMT2AL3MBTL1NR4A1

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