SCHEMBL8799016

SCHEMBL8799016

FC(F)(F)c1[nH]c(C(F)(F)F)c(-c2ccc(Cl)cc2)c1Br

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSD A5PKW4 8/20 0.41
KCNQ3 O43525 3/20 0.40
KCNQ2 O43526 3/20 0.40
GYS1 P13807 1/20 0.40
ARF6 P62330 3/20 0.39
PLAT P00750 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL8798543 0.80 PSD (0.40) PSDKCNQ3KCNQ2GYS1ARF6
SCHEMBL8798414 0.76 PSD (0.34) PSDKCNQ3KCNQ2GYS1CYP1A2
SCHEMBL3123053 0.74 KDM4E (0.48) PSDKCNQ3KCNQ2CYP1A2CYP2C19
SCHEMBL9015062 0.73 KDM4E (0.48) PSDKCNQ3KCNQ2GYS1ARF6
SCHEMBL8798325 0.72 PSD (0.34) PSDKCNQ3KCNQ2GYS1CYP1A2
SCHEMBL13858869 0.71 ALDH1A1 (0.46) PSD
SCHEMBL8662105 0.71 PSD (0.34) PSDKCNQ3KCNQ2GYS1CYP1A2
SCHEMBL116957 0.71 ALDH1A1 (0.46) PSD
SCHEMBL7786390 0.70 TUBB4A (0.36) PSDCYP1A2CYP2C19RECQL
SCHEMBL9446485 0.69 GRM5 (0.47) PSDCYP1A2

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-0481182-B1 Bis- and tris(trifluoromethyl) arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID CO (US) 1997-01-29 EP claimed
US-5157047-A Miticides AMERICAN CYANAMID COMPANY (US) 1992-10-20 US claimed
EP-0481182-A1 Bis- and tris(trifluoromethyl) arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 1992-04-22 EP claimed
EP-0481182-B1 Bis- and tris(trifluoromethyl) arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID CO (US) 1997-01-29 EP disclosed
US-5281719-A Reacting a methyl N-((trimethylsilyl)methyl)thiobenzimidate with 2,3-dichloro-hexafluorobutene to give a 2-aryl-3,4-bis-(trifluoromethyl)pyrrole and reacting this with a halogenating compound AMERICAN CYANAMID COMPANY (US) 1994-01-25 US disclosed
US-5229524-A Bis-and tris (trifluoromethyl) arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 1993-07-20 US disclosed
US-5157047-A Miticides AMERICAN CYANAMID COMPANY (US) 1992-10-20 US disclosed
EP-0481182-A1 Bis- and tris(trifluoromethyl) arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 1992-04-22 EP disclosed