SCHEMBL6534945

SCHEMBL6534945

CNc1ccc(C)cc1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.56
PKM P14618 2/20 0.51
RAPGEF4 Q8WZA2 1/20 0.51
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CNR1 P21554 2/20 0.48
MAPT P10636 2/20 0.48
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA3 P34903 1/20 0.46
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.44
MMP2 P08253 3/20 0.44
MMP8 P22894 3/20 0.44
MMP12 P39900 3/20 0.44
MMP13 P45452 3/20 0.44

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
SCHEMBL7865941 0.88 FFAR4 (0.52) FFAR4PKMRAPGEF4ALDH1A1LMNA
SCHEMBL6535210 0.84 LMNA (0.52) FFAR4PKMRAPGEF4LMNAMAPT
SCHEMBL6534665 0.75 LMNA (0.56) FFAR4PKMLMNACNR1MAPT
SCHEMBL13665511 0.75 PKM (0.83) PKMRAPGEF4ALDH1A1SMN1; SMN2MAPT
SCHEMBL825670 0.75 PKM (0.83) PKMRAPGEF4ALDH1A1SMN1; SMN2MAPT
SCHEMBL15908246 0.75 PKM (0.83) PKMRAPGEF4ALDH1A1SMN1; SMN2MAPT
SCHEMBL12768020 0.73 FFAR4 (0.81) FFAR4PKMALDH1A1GABRG2GABRB3
SCHEMBL15486267 0.72 EDNRB (0.48) PKMALDH1A1GAAMEN1KMT2A
SCHEMBL8145743 0.71 PKM (0.62) FFAR4PKMRAPGEF4SMN1; SMN2CNR1
SCHEMBL13074716 0.71 PKM (1.00) PKMRAPGEF4ALDH1A1MAPTGAA

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