SCHEMBL6535762

SCHEMBL6535762

CNc1ccc(Cl)cc1S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 1/20 0.58
KIF18A Q8NI77 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
MAPT P10636 4/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
F2 P00734 1/20 0.43
PRSS1 P07477 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
SCHEMBL6534954 0.84 KMT2A (0.71) KMT2AMEN1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL6534678 0.82 KMT2A (0.56) KMT2AMEN1KIF18AL3MBTL1SMN1; SMN2
SCHEMBL6534728 0.78 HTR6 (0.44) SMN1; SMN2ALDH1A1CA1CA2HTT
SCHEMBL6535792 0.77 KMT2A (0.57) KMT2AMEN1KIF18ASMN1; SMN2ALDH1A1
SCHEMBL11566827 0.76 KMT2A (1.00) KMT2AMEN1L3MBTL1ALDH1A1CA1
SCHEMBL30446303 0.76 KMT2A (1.00) KMT2AMEN1L3MBTL1ALDH1A1CA1
SCHEMBL2039879 0.76 KMT2A (1.00) KMT2AMEN1L3MBTL1ALDH1A1CA1
SCHEMBL6534765 0.76 HTR6 (0.65) KIF18AALDH1A1MAPTGAA
SCHEMBL6534868 0.76 KMT2A (0.61) KMT2AMEN1L3MBTL1ALDH1A1CA1
SCHEMBL8885322 0.75 KMT2A (0.77) KMT2AMEN1KIF18AL3MBTL1SMN1; SMN2

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