SCHEMBL9750647

SCHEMBL9750647

C=CCNc1nc(C(F)(F)F)c(C(=O)OCC)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IDO1 P14902 1/20 0.36
LCAT P04180 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.35
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
BTK Q06187 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MAPK1 P28482 1/20 0.33
JUN P05412 3/20 0.33
NFKB1 P19838 3/20 0.33
NFKB2 Q00653 3/20 0.33
RELA Q04206 3/20 0.33

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
SCHEMBL9750598 0.86 KDM4E (0.42) KDM4EALDH1A1HPGDIDO1LCAT
SCHEMBL9750699 0.84 KDM4E (0.40) KDM4EALDH1A1HPGDLMNATDP1
SCHEMBL9750665 0.82 KDM4E (0.40) KDM4EALDH1A1HPGDL3MBTL1IDO1
SCHEMBL9750582 0.82 ELANE (0.46) KDM4EALDH1A1HPGDL3MBTL1IDO1
SCHEMBL9750657 0.82 KDM4E (0.43) KDM4EALDH1A1HPGDIDO1LCAT
SCHEMBL9750733 0.81 KDM4E (0.39) KDM4EALDH1A1HPGDIDO1LCAT
SCHEMBL9750615 0.80 KDM4E (0.41) KDM4EALDH1A1HPGDL3MBTL1IDO1
SCHEMBL9750603 0.80 ELANE (0.39) KDM4EALDH1A1HPGDLMNATDP1
SCHEMBL9750617 0.79 KDM4E (0.40) KDM4EALDH1A1HPGDIDO1LCAT
SCHEMBL9750636 0.78 KDM4E (0.40) KDM4EALDH1A1HPGDL3MBTL1IDO1

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