SCHEMBL7024581

SCHEMBL7024581

O=C1C2CCCCN2C(=S)N1c1cc(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)cc1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPOX P50336 3/20 0.43
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
AR P10275 1/20 0.34

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
SCHEMBL7024583 1.00 PPOX (0.43) PPOXPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL7018216 0.84 POLB (0.41) PPOXPOLBKMT2AAR
SCHEMBL7018221 0.84 POLB (0.41) PPOXPOLBKMT2AAR
SCHEMBL7018223 0.84 POLB (0.41) PPOXPOLBKMT2AAR
SCHEMBL10611058 0.82 PPOX (0.63) PPOXPOLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL7019491 0.82 PPOX (0.41) PPOXPOLBKMT2A
SCHEMBL7019496 0.82 PPOX (0.41) PPOXPOLBKMT2A
SCHEMBL7019487 0.82 PPOX (0.41) PPOXPOLBKMT2A
SCHEMBL7015636 0.81 PPOX (0.43) PPOXPOLBKMT2A
SCHEMBL7016728 0.81 PPOX (0.43) PPOXPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973395-B1 DIARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INC (US) 2003-12-03 EP disclosed
US-6479435-B1 OR DIARYL SULFIDES, 1-(4-CHLORO-2-FLUORO-5-(2-PYRIMIDYLOXY)PHENYL)-4-DIFLUOROMETHY L-3-METHYL-1,4-DIHYDRO-1,2,4-TRIAZOLIN-5-ONE FOR EXAMPLE ISK AMERICAS INCORPORATED 2002-11-12 US disclosed
US-6333296-B1 FOR CONTRILLING WEEDS ISK AMERICAS INCORPORATED 2001-12-25 US disclosed
US-6303543-B1 Diaryl ethers and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-10-16 US disclosed
EP-0973395-A4 DIARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INC (US) 2001-10-04 EP disclosed
US-6121201-A HETEROARYL SUBSTITUTED HALO-PYRAZOLE SUBSTITUTED DIARYL ETHERS OR THIOETHERS ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-09-19 US disclosed
EP-0973395-A1 DIARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISK Americas Incorporated (US) 2000-01-26 EP disclosed
WO-1998041093-A1 DIARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INCORPORATED (US) 1998-09-24 WO disclosed