SCHEMBL8462010

SCHEMBL8462010

Fc1cc(Cl)c(C(F)(F)F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
NOTUM Q6P988 7/20 0.38
IDO1 P14902 2/20 0.37
KDR P35968 1/20 0.37
KDM1A O60341 2/20 0.36
KDM1B Q8NB78 1/20 0.36
NPFFR2 Q9Y5X5 3/20 0.36
NPFFR1 Q9GZQ6 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.33
PDK1 Q15118 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
SCHEMBL10830423 0.93 HTR3E (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7272204 0.90 NOTUM (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8975023 0.87 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11602223 0.87 NOTUM (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9628313 0.85 KIF11 (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30792979 0.83 KIF11 (0.35) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7921991 0.82 CYP11B1 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11041475 0.82 PDE2A (0.32) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2986241 0.81 NOTUM (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30100590 0.81 NOTUM (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4603222-A Method for the preparation of nitrodiphenyl ethers OCCIDENTAL CHEMICAL CORPORATION (US) 1986-07-29 US claimed
EP-0173349-A1 Method for the preparation of nitrodiphenyl ethers OCCIDENTAL CHEMICAL CORPORATION (US) 1986-03-05 EP claimed
EP-0159388-A2 Preparation of nuclear chlorinated compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1985-10-30 EP claimed
US-4470930-A Preparation of nuclear chlorinated aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1984-09-11 US claimed
US-4469893-A Method for the preparation of nitrodiphenyl ethers OCCIDENTAL CHEMICAL CORPORATION (US) 1984-09-04 US claimed
US-4424396-A ARYL HALIDE, A-AMINOACID OCCIDENTAL CHEMICAL CORPORATION (US) 1984-01-03 US claimed
US-5981789-A CHLORODENITRATING AROMATIC COMPOUNDS USING LESS CHLORINATING AGENT AND LOWER TEMPERATURES, THEN RECYCLING THE PRODUCT MIXTURE TO INCREASE THE YIELD OCCIDENTAL CHEMICAL CORPORATION (US) 1999-11-09 US disclosed
US-4704483-A FLUORINATION WITH POTASSIUM FLUORIDE OCCIDENTAL CHEMICAL CORPORATION (US) 1987-11-03 US disclosed
US-4603222-A Method for the preparation of nitrodiphenyl ethers OCCIDENTAL CHEMICAL CORPORATION (US) 1986-07-29 US disclosed
US-4582948-A VAPOR PHASE CHLORO-DENITRATION REACTION OCCIDENTAL CHEMICAL CORPORATION (US) 1986-04-15 US disclosed
EP-0173349-A1 Method for the preparation of nitrodiphenyl ethers OCCIDENTAL CHEMICAL CORPORATION (US) 1986-03-05 EP disclosed
EP-0159388-A2 Preparation of nuclear chlorinated compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1985-10-30 EP disclosed
US-4470930-A Preparation of nuclear chlorinated aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1984-09-11 US disclosed
US-4469893-A Method for the preparation of nitrodiphenyl ethers OCCIDENTAL CHEMICAL CORPORATION (US) 1984-09-04 US disclosed
US-4424396-A ARYL HALIDE, A-AMINOACID OCCIDENTAL CHEMICAL CORPORATION (US) 1984-01-03 US disclosed