SCHEMBL8799220

SCHEMBL8799220

FC(F)(F)c1[nH]c(-c2ccc(Cl)c(Cl)c2)c(Br)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.38
CYP1B1 Q16678 1/20 0.38
GYS1 P13807 1/20 0.36
IKBKB O14920 1/20 0.34
PSD A5PKW4 3/20 0.33
KIF20B Q96Q89 1/20 0.32
MEN1 O00255 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
NOTUM Q6P988 3/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
ALOX12 P18054 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
ARF6 P62330 1/20 0.31

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
SCHEMBL8483151 0.86 AHR (0.42) AHRCYP1B1GYS1IKBKBPSD
SCHEMBL8798325 0.83 PSD (0.34) GYS1PSDMEN1HTTKMT2A
SCHEMBL9189622 0.78 IDO1 (0.39) AHRCYP1B1GYS1MEN1HTT
SCHEMBL9339859 0.78 PSD (0.41) AHRGYS1PSDMEN1HTT
SCHEMBL8798891 0.78 TRPV1 (0.39)
SCHEMBL9336031 0.77 MAPK14 (0.39) AHRGYS1MEN1HTTKMT2A
SCHEMBL8798981 0.76 L3MBTL1 (0.37) KDM4EGAA
SCHEMBL9256934 0.71 AHR (0.34) AHRCYP1B1IKBKBMEN1HTT
SCHEMBL9258499 0.71 AHR (0.36) AHRCYP1B1IKBKBMEN1HTT
SCHEMBL8976164 0.71 IDO1 (0.40) AHRCYP1B1GYS1MEN1HTT

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