SCHEMBL8895253

SCHEMBL8895253

CC(C)Oc1cc(NC(=O)C2CCCCN2)c(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPOX P50336 2/20 0.42
TSHR P16473 1/20 0.42
ROCK2 O75116 2/20 0.41
SRC P12931 1/20 0.40
DHODH Q02127 1/20 0.40
FLT3 P36888 2/20 0.40
CD274 Q9NZQ7 1/20 0.39
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 2/20 0.39
HDAC2 Q92769 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SUV39H2 Q9H5I1 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
BRPF1 P55201 1/20 0.37
ULK1 O75385 1/20 0.36

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
SCHEMBL8894419 0.83 CD274 (0.44) PPOXTSHRDHODHCD274BRPF1
SCHEMBL31122567 0.77 ROCK2 (0.52) ROCK2SRCFLT3HTR2AHTR2C
SCHEMBL9769699 0.76 PPOX (0.46) PPOXTSHRDHODHL3MBTL1
SCHEMBL9836594 0.75 RORC (0.47) PPOXDHODH
SCHEMBL9769759 0.74 TSHR (0.40) PPOXTSHRDHODHL3MBTL1
SCHEMBL10576407 0.74 RORC (0.46) PPOXDHODH
SCHEMBL9619955 0.74 PPOX (0.42) PPOXTSHRDHODHL3MBTL1
SCHEMBL31122588 0.71 KMT2A (0.64) ROCK2SRCHTR2CHDAC2L3MBTL1
SCHEMBL9397328 0.71 L3MBTL1 (0.53) TSHRL3MBTL1
SCHEMBL10882564 0.70 MAPT (0.38) PPOXDHODH

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