SCHEMBL6534688

SCHEMBL6534688

COc1ccc(S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.59
MEN1 O00255 4/20 0.59
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 5/20 0.49
LMNA P02545 4/20 0.49
HPGD P15428 2/20 0.49
POLB P06746 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6772047 0.83 KMT2A (0.58) KMT2AMEN1ALDH1A1TDP1MAPT
SCHEMBL11566827 0.77 KMT2A (1.00) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL2039879 0.77 KMT2A (1.00) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL30446303 0.77 KMT2A (1.00) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL6535560 0.75 LMNA (0.52) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL30686627 0.74 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1TDP1MAPT
SCHEMBL4142866 0.74 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1TDP1MAPT
SCHEMBL23932907 0.72 VCAM1 (0.49) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL3919900 0.72 VCAM1 (0.60) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8960247 0.72 POLB (0.53) KMT2AMEN1ALDH1A1MAPTLMNA

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