SCHEMBL8663128

SCHEMBL8663128

O=S(=O)(c1cc(C(F)(F)F)[nH]c1-c1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35
EPAS1 Q99814 3/20 0.35
PTGS2 P35354 6/20 0.35
PTGS1 P23219 2/20 0.33
TNF P01375 1/20 0.33
NOD1 Q9Y239 1/20 0.33
CCR2 P41597 1/20 0.33
KDM1A O60341 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL8666601 0.86 PTGS2 (0.40) KDM4EMEN1ALDH1A1LMNAGLA
SCHEMBL8779966 0.85 PTGS2 (0.35) KDM4EMEN1ALDH1A1LMNAGLA
SCHEMBL8663058 0.85 PTGS2 (0.39) EPAS1PTGS2PTGS1CCR2VEGFA
SCHEMBL7784739 0.84 ALDH1A1 (0.43) MEN1ALDH1A1KMT2APTGS2PTGS1
SCHEMBL8662003 0.80 PTGS2 (0.32) KDM4EMEN1ALDH1A1LMNAGLA
SCHEMBL8662548 0.80 PTGS2 (0.41) KDM4EMEN1ALDH1A1LMNAGLA
SCHEMBL7778323 0.80 LMNA (0.42) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL8664430 0.79 PTGS2 (0.43) MEN1ALDH1A1LMNAHPGDHTT
SCHEMBL8666593 0.76 NPC1 (0.35) MEN1ALDH1A1HPGDKMT2AEPAS1
SCHEMBL8798565 0.74 KDM4E (0.43) KDM4EMEN1ALDH1A1LMNAGLA

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
US-5484807-A Haloalkylthio, -sulfinyl and -sulfonyl arylpyrrole insecticidal and acaricidal agents BASF AKTIENGESELLSCHAFT 1996-01-16 US claimed
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