SCHEMBL6534706

SCHEMBL6534706

CNc1ccccc1S(=O)(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.57
SLC22A12 Q96S37 10/20 0.53
HSD11B1 P28845 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 1/20 0.48
SLC40A1 Q9NP59 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HCRTR1 O43613 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL11840111 0.84 HTR6 (0.77) HTR6KMT2AMEN1ALDH1A1GAA
SCHEMBL29874131 0.84 MEN1 (0.60) HTR6SLC22A12HSD11B1KMT2AMEN1
SCHEMBL3625928 0.84 MEN1 (0.60) HTR6SLC22A12HSD11B1KMT2AMEN1
SCHEMBL10143548 0.81 SLC22A12 (0.70) SLC22A12KMT2AMEN1ALDH1A1SLC40A1
SCHEMBL880789 0.76 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL4029025 0.75 SLC22A12 (0.58) SLC22A12KMT2AMEN1ALDH1A1CYP3A4
SCHEMBL14215790 0.75 HTR6 (0.55) HTR6SLC22A12KMT2AMEN1ALDH1A1
SCHEMBL6534886 0.74 HTR6 (0.62) HTR6
SCHEMBL18341141 0.74 MEN1 (0.50) HTR6SLC22A12HSD11B1KMT2AMEN1
SCHEMBL6534858 0.74 HTR6 (0.62) HTR6HSD11B1ALDH1A1SLC40A1TSHR

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
EP-1011652-A4 NOVEL DIARYLSULFONE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS UNIV THE SCIENCES IN PHILADELP (US) 2004-12-22 EP disclosed
US-6303630-B1 TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTION BYADMINISTERING TO A HUMAN DIARYLSULFONE COMPOUND UNIVERSITY OF THE SCIENCES IN PHILADELPHIA 2001-10-16 US disclosed
EP-1011652-A1 NOVEL DIARYLSULFONE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS University of the Sciences in Philadelphia (US) 2000-06-28 EP disclosed
US-6063790-A TREATMENT OF AIDS UNIVERSITY OF THE SCIENCES IN PHILADELPHIA (US) 2000-05-16 US disclosed
WO-1999006037-A1 NOVEL DIARYLSULFONE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS UNIVERSITY OF THE SCIENCES IN PHILADELPHIA (US) 1999-02-11 WO disclosed