SCHEMBL6535829

SCHEMBL6535829

O=[N+]([O-])c1ccccc1S(=O)(=O)c1cccc2c1NCCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
MEN1 O00255 3/20 0.58
MET P08581 1/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
ACHE P22303 1/20 0.40
SRC P12931 1/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MDM2 Q00987 1/20 0.39

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
SCHEMBL7869030 0.86 KMT2A (0.50) KMT2AMEN1METLMNAALDH1A1
SCHEMBL6536494 0.86 KMT2A (0.50) KMT2AMEN1METLMNAALDH1A1
SCHEMBL4073038 0.83 KMT2A (0.53) KMT2AMEN1LMNAALDH1A1CA1
SCHEMBL10400093 0.83 SRC (0.47) KMT2AMEN1ALDH1A1ACHESRC
SCHEMBL7867515 0.77 SRC (0.44) KMT2ACA1CA2SRCF2
SCHEMBL30446303 0.76 KMT2A (1.00) KMT2AMEN1METLMNAALDH1A1
SCHEMBL11566827 0.76 KMT2A (1.00) KMT2AMEN1METLMNAALDH1A1
SCHEMBL2039879 0.76 KMT2A (1.00) KMT2AMEN1METLMNAALDH1A1
SCHEMBL525390 0.74 SRC (0.50) KMT2ALMNACA1CA2SRC
SCHEMBL17458779 0.74 SRC (0.47) CA1CA2SRCF2

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