SCHEMBL6534868

SCHEMBL6534868

CNc1c(Cl)cccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.54
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
ALDH1A1 P00352 3/20 0.46
PKM P14618 3/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.45
NFKBIA P25963 1/20 0.44
RELA Q04206 1/20 0.44
MET P08581 1/20 0.44
THRB P10828 1/20 0.44
MAPK1 P28482 1/20 0.43
CYP19A1 P11511 1/20 0.43

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
SCHEMBL6534664 0.81 CA1 (0.58) KMT2AMEN1L3MBTL1CA1CA2
SCHEMBL102957 0.80 MAPT (0.49) KMT2AMEN1L3MBTL1ALDH1A1PKM
SCHEMBL11566827 0.78 KMT2A (1.00) KMT2AMEN1L3MBTL1CA1CA2
SCHEMBL30446303 0.78 KMT2A (1.00) KMT2AMEN1L3MBTL1CA1CA2
SCHEMBL2039879 0.78 KMT2A (1.00) KMT2AMEN1L3MBTL1CA1CA2
SCHEMBL6534954 0.78 KMT2A (0.71) KMT2AMEN1L3MBTL1CA1CA2
SCHEMBL6534678 0.76 KMT2A (0.56) KMT2AMEN1L3MBTL1CA1CA2
SCHEMBL6535762 0.76 KMT2A (0.58) KMT2AMEN1L3MBTL1CA1CA2
SCHEMBL10452713 0.72 KMT2A (0.66) KMT2AMEN1L3MBTL1CA1CA2
SCHEMBL5730520 0.72 CCR2 (0.42) LMNA

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