SCHEMBL8666609

SCHEMBL8666609

FC(F)Sc1[nH]c(-c2ccc(Cl)cc2)c(Br)c1Br

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.33
CCNB2 O95067 2/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNB3 Q8WWL7 2/20 0.33
MAPK14 Q16539 2/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
SERPINE1 P05121 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 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
SCHEMBL9254221 0.77 GCGR (0.32) GCGRMAPK14SERPINE1KDM4EMAPT
SCHEMBL8662090 0.77 GCGR (0.33) GCGRMAPK14SERPINE1KDM4EMAPT
SCHEMBL8661765 0.76 KDM4E (0.35) GCGRCCNB2CDK1CCNB1CCNB3
SCHEMBL8662439 0.69 PTGS2 (0.38) GCGRCCNB2CDK1CCNB1CCNB3
SCHEMBL1178931 0.65 ALDH1A1 (0.40) KDM4EMAPT
SCHEMBL8664115 0.65 GCGR (0.46) GCGRCCNB2CDK1CCNB1CCNB3
SCHEMBL9254235 0.64 PTGS2 (0.33) GCGRCCNB2CDK1CCNB1CCNB3
SCHEMBL8668183 0.62 PTGS2 (0.35) GCGRMAPK14SERPINE1
SCHEMBL8798325 0.62 PSD (0.34) GCGRMAPK14SERPINE1KDM4E
SCHEMBL8666738 0.62 ALDH1A1 (0.40) KDM4EMAPT

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