SCHEMBL9528816

SCHEMBL9528816

C#CCOc1cc(N=C=O)c(F)cc1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.34
TRPA1 O75762 1/20 0.34
HPGD P15428 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
LMNA P02545 1/20 0.30
PDE4B Q07343 1/20 0.30

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
SCHEMBL7081041 0.83 LMNA (0.41) HPGDTSHRLMNA
SCHEMBL1098973 0.79 CYP3A4 (0.49) CYP3A4TRPA1HPGDALDH1A1TDP1
SCHEMBL9528915 0.75 CYP3A4 (0.37) CYP3A4TRPA1HPGDALDH1A1TDP1
SCHEMBL26726215 0.72 CYP3A4 (0.50) CYP3A4TRPA1HPGDALDH1A1TDP1
SCHEMBL9530684 0.72 LMNA (0.43) CYP3A4HPGDALDH1A1TDP1TSHR
SCHEMBL8485421 0.71 HTT (0.33) CYP3A4TRPA1
SCHEMBL8887423 0.70 NR1I2 (0.39) CYP3A4HPGDALDH1A1TDP1
SCHEMBL9837020 0.69 CYP3A4 (0.46) CYP3A4TRPA1HPGDALDH1A1TDP1
SCHEMBL18355106 0.69 P2RX3 (0.36) ALDH1A1MRGPRX4
SCHEMBL4593568 0.69 LMNA (0.41) HPGDTSHRLMNA

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 4 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