SCHEMBL6535792

SCHEMBL6535792

CNc1ccc(S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 1/20 0.55
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
MAPT P10636 1/20 0.45
HTR6 P50406 1/20 0.44
F2 P00734 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
KIF18A Q8NI77 1/20 0.44
NFKBIA P25963 1/20 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
SCHEMBL6534678 0.85 KMT2A (0.56) KMT2AMEN1GAASMN1; SMN2CA1
SCHEMBL7150552 0.83 HTR6 (0.51) GAASMN1; SMN2ALDH1A1MAPTHTR6
SCHEMBL6534954 0.80 KMT2A (0.71) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL6535762 0.77 KMT2A (0.58) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL8884645 0.76 KMT2A (0.77) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL8026761 0.74 ABCC9 (0.59) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL2041279 0.74 KMT2A (1.00) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL11566827 0.74 KMT2A (1.00) KMT2AMEN1GAAALDH1A1CA1
SCHEMBL30446303 0.74 KMT2A (1.00) KMT2AMEN1GAAALDH1A1CA1
SCHEMBL2039879 0.74 KMT2A (1.00) KMT2AMEN1GAAALDH1A1CA1

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