SCHEMBL8664430

SCHEMBL8664430

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.43
EPAS1 Q99814 1/20 0.35
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
PTGS1 P23219 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NPBWR1 P48145 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDPK1 O15530 1/20 0.34
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
MCL1 Q07820 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FLT1 P17948 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 0.80 PTGS2 (0.40) PTGS2EPAS1MEN1KMT2APTGS1
SCHEMBL8663128 0.79 KDM4E (0.35) PTGS2EPAS1MEN1MAPTKMT2A
SCHEMBL8663058 0.79 PTGS2 (0.39) PTGS2EPAS1PTGS1CCR2
SCHEMBL8779966 0.79 PTGS2 (0.35) PTGS2EPAS1MEN1KMT2APTGS1
SCHEMBL8666107 0.76 EPAS1 (0.40) PTGS2EPAS1MEN1NPC1MAPT
SCHEMBL8662003 0.75 PTGS2 (0.32) PTGS2EPAS1MEN1KMT2APTGS1
SCHEMBL8662548 0.75 PTGS2 (0.41) PTGS2EPAS1MEN1KMT2AALDH1A1
SCHEMBL8666593 0.71 NPC1 (0.35) PTGS2EPAS1MEN1NPC1RAB9A
SCHEMBL9226666 0.70 VCAM1 (0.49) PTGS2MEN1NPC1MAPTRAB9A
SCHEMBL8666733 0.67 EPAS1 (0.39) PTGS2EPAS1MEN1KMT2APTGS1

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