SCHEMBL9533540

SCHEMBL9533540

CC(C)Oc1cc(N=C=O)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
MAPK1 P28482 2/20 0.56
CYP3A4 P08684 4/20 0.41
TRPA1 O75762 1/20 0.41
CSNK2A1 P68400 2/20 0.37
RORC P51449 1/20 0.37
TSHR P16473 2/20 0.34
GAA P10253 2/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NR1I2 O75469 1/20 0.33
PPOX P50336 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
SCHEMBL11804851 0.87 MAPK1 (0.56) TDP1MAPK1CYP3A4TRPA1CSNK2A1
SCHEMBL10316838 0.83 MAPK1 (0.46) TDP1MAPK1CYP3A4TRPA1CSNK2A1
SCHEMBL6472011 0.82 CYP3A4 (0.54) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL9530566 0.82 MAPK1 (0.46) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL282107 0.81 MAPK1 (0.61) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL9529407 0.79 TDP1 (0.39) TDP1MAPK1CYP3A4TRPA1CSNK2A1
SCHEMBL9776985 0.77 CYP3A4 (0.38) TDP1MAPK1CYP3A4TRPA1CSNK2A1
SCHEMBL17593306 0.75 CYP3A4 (0.39) TDP1MAPK1CYP3A4TRPA1RORC
SCHEMBL1555247 0.74 MAPK1 (0.56) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL19461641 0.74 RXRA (0.46) TDP1MAPK1CYP3A4TRPA1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0371240-B1 USE OF N-PHENYL-SUBSTITUTED OXAZINDIONES AS HERBICIDES AND N-PHENYL-SUBSTITUTED OXAZINDIONES AND SOME PROCESSES FOR THEIR PRODUCTION BAYER AG (DE) 1993-06-16 EP disclosed
US-5164498-A Herbicidal N-phenyl-substituted oxazinediones BAYER AKTIENGESELLSCHAFT (DE) 1992-11-17 US disclosed
US-5061310-A HERBICIDAL N-PHENYL-SUBSTITUTED OXAZINEDIONES AND OXAZINONETHIONES BAYER AKTIENGESELLSCHAFT (DE) 1991-10-29 US disclosed
EP-0371240-A1 Use of N-phenyl-substituted oxazindiones as herbicides and N-phenyl-substituted oxazindiones and some processes for their production BAYER AG (DE) 1990-06-06 EP disclosed
EP-0290902-A2 Condensed (thio)hydantoins BAYER AG (DE) 1988-11-17 EP disclosed