SCHEMBL9750699

SCHEMBL9750699

CCCNc1nc(C(F)(F)F)c(C(=O)OCC)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
IDO1 P14902 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LCAT P04180 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SLC26A6 Q9BXS9 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BTK Q06187 1/20 0.35
ELANE P08246 3/20 0.34
FBP1 P09467 1/20 0.34
JUN P05412 3/20 0.34
NFKB1 P19838 3/20 0.34
NFKB2 Q00653 3/20 0.34
RELA Q04206 3/20 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
SCHEMBL9750603 0.90 ELANE (0.39) KDM4EIDO1ALDH1A1HPGDMAPT
SCHEMBL9750598 0.89 KDM4E (0.42) KDM4EIDO1ALDH1A1HPGDMAPT
SCHEMBL9750582 0.86 ELANE (0.46) KDM4EIDO1ALDH1A1HPGDMAPT
SCHEMBL9750665 0.86 KDM4E (0.40) KDM4EIDO1ALDH1A1HPGDMAPT
SCHEMBL9750657 0.85 KDM4E (0.43) KDM4EIDO1ALDH1A1HPGDMAPT
SCHEMBL9750733 0.85 KDM4E (0.39) KDM4EIDO1ALDH1A1HPGDMAPT
SCHEMBL9750647 0.84 KDM4E (0.39) KDM4EIDO1ALDH1A1HPGDMAPT
SCHEMBL9750636 0.83 KDM4E (0.40) KDM4EIDO1ALDH1A1HPGDMAPT
SCHEMBL9750615 0.83 KDM4E (0.41) KDM4EIDO1ALDH1A1HPGDMAPT
SCHEMBL9750617 0.82 KDM4E (0.40) KDM4EIDO1ALDH1A1HPGDMAPT

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 1 patent. 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 disclosed