SCHEMBL8666789

SCHEMBL8666789

COc1ccc(-c2[nH]ccc2S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
PTGS2 P35354 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
HSD11B1 P28845 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KCNH2 Q12809 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL8666593 0.80 NPC1 (0.35) PTGS2PTGS1KMT2AALDH1A1HPGD
SCHEMBL8667881 0.79 KDM4E (0.35) PTGS2KDM4EALDH1A1HPGD
SCHEMBL7864915 0.71 NOX1 (0.49) PTGS2PTGS1MAPK1KMT2AKDM4E
SCHEMBL14345059 0.71 PKM (0.59) PTGS2HSD11B1MAPK1KMT2AALDH1A1
SCHEMBL3480375 0.68 SMN1; SMN2 (0.42) PTGS2HSD11B1MAPK1KMT2AALDH1A1
SCHEMBL7646118 0.68 CA12 (0.46) IDO1MAPK1KMT2AKDM4EALDH1A1
SCHEMBL10970446 0.68 IDO1 (0.55) IDO1PTGS2MAPK1KMT2A
SCHEMBL8719028 0.68 ALDH1A1 (0.33) MAPK1KDM4EALDH1A1SMN1; SMN2
Sulfuric Acid SCHEMBL28495378 0.67 PKM (0.53) HSD11B1KMT2AALDH1A1NPSR1PKM
Trifluoromethanesulfonic Acid SCHEMBL27504575 0.67 ME2 (0.46) SLC22A12HSD11B1MAPK1KMT2AKDM4E

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