SCHEMBL8894419

SCHEMBL8894419

CC(C)Oc1cc(NC(=O)C2COCCN2)c(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.44
DHODH Q02127 5/20 0.39
BRPF1 P55201 2/20 0.37
PPOX P50336 1/20 0.35
RORC P51449 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
P2RX3 P56373 3/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL8895253 0.83 PPOX (0.42) CD274DHODHBRPF1PPOXTSHR
SCHEMBL9836594 0.73 RORC (0.47) DHODHPPOXRORCGAAMAPK1
SCHEMBL10576407 0.72 RORC (0.46) DHODHPPOXRORCGAAMAPK1
SCHEMBL9769699 0.69 PPOX (0.46) DHODHPPOXGAAMAPK1P2RX3
SCHEMBL10576902 0.69 P2RX3 (0.46) DHODHPPOXRORCGAAMAPK1
SCHEMBL10419791 0.68 DHODH (0.48) DHODHRORCGAAMAPK1LMNA
SCHEMBL9398310 0.67 PPOX (0.36) DHODHPPOXRORCGAAMAPK1
SCHEMBL10696807 0.67 RORC (0.43) DHODHPPOXRORCGAAMAPK1
SCHEMBL27368859 0.67 RORC (0.40) DHODHPPOXRORCGAAMAPK1
SCHEMBL9769759 0.67 TSHR (0.40) DHODHPPOXGAAMAPK1TSHR

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-5643855-A Herbicidal imidazolones E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-07-01 US disclosed
WO-1994014817-A1 HERBICIDAL IMIDAZOLONES AND A PROCESS FOR THEIR MANUFACTURE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-07-07 WO disclosed