SCHEMBL9750662

SCHEMBL9750662

CCOC(=O)c1oc(N(C)C(C)(C)C)nc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.40
IDO1 P14902 1/20 0.38
ALDH1A1 P00352 7/20 0.37
HPGD P15428 7/20 0.37
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
JUN P05412 2/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
KMT2A Q03164 3/20 0.36
HSD17B10 Q99714 3/20 0.36
LCAT P04180 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL9750597 0.88 KDM4E (0.43) KDM4EIDO1ALDH1A1HPGDHDAC4
SCHEMBL9750549 0.84 KDM4E (0.42) KDM4EIDO1ALDH1A1HPGDHDAC4
SCHEMBL9750592 0.79 KDM4E (0.42) KDM4EALDH1A1HPGDHDAC4HDAC6
SCHEMBL29171021 0.79 KDM4E (0.47) KDM4EIDO1ALDH1A1HPGDHDAC4
SCHEMBL2145291 0.76 KDM4E (0.51) KDM4EIDO1ALDH1A1HPGDHDAC4
SCHEMBL9750624 0.76 KDM4E (0.45) KDM4EIDO1ALDH1A1HPGDHDAC4
SCHEMBL2145020 0.76 KDM4E (0.45) KDM4EIDO1ALDH1A1HPGDHDAC4
SCHEMBL9750626 0.76 KDM4E (0.43) KDM4EALDH1A1HPGDHDAC4HDAC6
SCHEMBL11162931 0.75 KDM4E (0.47) KDM4EIDO1ALDH1A1HPGDHDAC4
SCHEMBL9750615 0.75 KDM4E (0.41) KDM4EIDO1ALDH1A1HPGDHDAC4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5000775-A 2-amino-4,5-disubstituted-oxazole/thiazole compounds as herbicide antidotes MONSANTO COMPANY (US) 1991-03-19 US claimed
US-5000775-A 2-amino-4,5-disubstituted-oxazole/thiazole compounds as herbicide antidotes MONSANTO COMPANY (US) 1991-03-19 US disclosed