SCHEMBL8663667

SCHEMBL8663667

O=C(O)c1cc([S+]([O-])C(F)(F)C(F)F)c(-c2ccc(Cl)cc2)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
CA12 O43570 1/20 0.36
ALPL P05186 1/20 0.36
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
MAPK14 Q16539 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNA7 P36544 1/20 0.33
RHEB Q15382 3/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 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
SCHEMBL8666751 0.84 ALPL (0.44) ALPLKDM4EMEN1LMNAHPGD
SCHEMBL8661801 0.72 NOTUM (0.39) NOTUMCA12ALPLF7F3
SCHEMBL8662138 0.69 NOTUM (0.43) NOTUMCA12ALPLF7F3
SCHEMBL8661809 0.69 NOTUM (0.43) NOTUMCA12ALPLF7F3
SCHEMBL8662865 0.67 MAPT (0.35) MAPK14KDM4EMEN1LMNAHPGD
SCHEMBL2329359 0.64 MARS1 (0.52) NOTUMCA12ALPLF7F3
SCHEMBL8415325 0.63 MAPK14 (0.56) NOTUMCA12ALPLMAPK14KDM4E
SCHEMBL7782874 0.61 MAPK14 (0.34) MAPK14KDM4EMEN1CYP2C9HPGD
SCHEMBL7784932 0.61 KDM4E (0.32) MAPK14KDM4EMEN1LMNAHPGD
SCHEMBL8661811 0.60 GCGR (0.38) NOTUMCA12ALPLMAPK14CHRNA7

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 5 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
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