SCHEMBL11087790

SCHEMBL11087790

COc1ccc(-c2nc(C(N)(C(F)(F)F)C(F)(F)F)[nH]c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.50
PDE10A Q9Y233 1/20 0.49
MAPK13 O15264 2/20 0.48
MAPK12 P53778 2/20 0.48
MAPK11 Q15759 2/20 0.48
MAPK14 Q16539 2/20 0.48
ALOX5 P09917 1/20 0.48
GCGR P47871 1/20 0.48
MAPT P10636 5/20 0.46
TP53 P04637 2/20 0.46
SMPD3 Q9NY59 1/20 0.46
RAF1 P04049 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
ESR1 P03372 1/20 0.44

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
SCHEMBL11092755 0.95 MAPK14 (0.56) NOX1PDE10AMAPK13MAPK12MAPK11
Flumizole SCHEMBL15757137 0.85 ESR1 (0.58) NOX1PDE10AMAPK13MAPK12MAPK11
Flumizole SCHEMBL43779 0.85 ESR1 (0.58) NOX1PDE10AMAPK13MAPK12MAPK11
SCHEMBL11087907 0.84 ESR1 (0.47) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL11164692 0.83 NOX1 (0.50) NOX1PDE10AMAPK13MAPK12MAPK11
SCHEMBL11165161 0.83 NOX1 (0.53) NOX1PDE10AMAPK13MAPK12MAPK11
SCHEMBL11082923 0.82 BRAF (0.57) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL11177941 0.82 NOX1 (0.52) NOX1PDE10AMAPK13MAPK12MAPK11
SCHEMBL11177151 0.80 NOX1 (0.50) NOX1PDE10AMAPK13MAPK12MAPK11
SCHEMBL11182862 0.79 NOX1 (0.49) NOX1PDE10AMAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4348404-A ANTIARTHRITIC E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-09-07 US claimed
EP-0044486-A1 Antiinflammatory 4,5-diaryl-alpha-polyfluoroalkyl-1H-imidazole-2-methanamines E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-01-27 EP claimed
US-4478845-A Antiinflammatory and/or analgesic imidazoimidazoles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-23 US disclosed
US-4348404-A ANTIARTHRITIC E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-09-07 US disclosed
US-4348404-A ANTIARTHRITIC E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-09-07 US disclosed
EP-0044486-A1 Antiinflammatory 4,5-diaryl-alpha-polyfluoroalkyl-1H-imidazole-2-methanamines E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-01-27 EP disclosed
EP-0044486-A1 Antiinflammatory 4,5-diaryl-alpha-polyfluoroalkyl-1H-imidazole-2-methanamines E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-01-27 EP disclosed