SCHEMBL8665046

SCHEMBL8665046

O=S(=O)(c1c(-c2ccc(Cl)cc2)[nH]c(Br)c1Br)C(F)(F)C(F)F

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGS1 P23219 1/20 0.30

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
SCHEMBL1180312 0.86 PTGS2 (0.35) PTGS2PTGS1
SCHEMBL8780034 0.74 PTGS2 (0.34) PTGS2PTGS1
SCHEMBL7782970 0.71 ALDH1A1 (0.43) PTGS2MAPTNPSR1L3MBTL1
SCHEMBL11420549 0.71 PTGS1 (0.55) PTGS2MAPTNPSR1L3MBTL1PTGS1
SCHEMBL8665118 0.71 ALDH1A1 (0.37) PTGS2MAPTPTGS1
SCHEMBL8664483 0.70 EPAS1 (0.32) PTGS2PTGS1
SCHEMBL8666287 0.69 KDM4E (0.35) MAPT
SCHEMBL8665123 0.68 PTGS2 (0.33) PTGS2PTGS1
SCHEMBL8661801 0.68 NOTUM (0.39) PTGS2MAPTNPSR1L3MBTL1PTGS1
SCHEMBL8668183 0.68 PTGS2 (0.35) PTGS2PTGS1

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-5739155-A Haloalkylthio,-sulfinyl and -sulfonyl arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID CO. (US) 1998-04-14 US disclosed
EP-0549866-B1 Haloalkylthio, -sulfinyl and -sulfonyl arylpyrrole insecticidal, acaricidal and fungicidal agents AMERICAN CYANAMID CO (US) 1997-08-13 EP disclosed
US-5484807-A Haloalkylthio, -sulfinyl and -sulfonyl arylpyrrole insecticidal and acaricidal agents BASF AKTIENGESELLSCHAFT 1996-01-16 US disclosed
US-5468877-A FOR PROTECTING CROPS AMERICAN CYANAMID COMPANY (US) 1995-11-21 US disclosed
US-5306827-A Haloalkylthio, -sulfinyl and -sulfonyl arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 1994-04-26 US disclosed
US-5284863-A Haloalkylthio, -sulfinyl and -sulfonyl arylpyrrole fungicidal agents AMERICAN CYANAMID COMPANY (US) 1994-02-08 US disclosed
EP-0549866-A1 Haloalkylthio, -sulfinyl and -sulfonyl arylpyrrole insecticidal, acaricidal and fungicidal agents AMERICAN CYANAMID COMPANY (US) 1993-07-07 EP disclosed