SCHEMBL7869030

SCHEMBL7869030

O=[N+]([O-])c1ccccc1S(=O)(=O)c1cc(Cl)cc2c1NCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
KIF18A Q8NI77 1/20 0.41
MET P08581 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
NLRP3 Q96P20 1/20 0.37
MAPT P10636 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL6536494 0.86 KMT2A (0.50) KMT2AMEN1METALDH1A1LMNA
SCHEMBL6535829 0.86 KMT2A (0.58) KMT2AMEN1METL3MBTL1ALDH1A1
SCHEMBL13993102 0.77 ALDH1A1 (0.38) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL11566827 0.71 KMT2A (1.00) KMT2AMEN1METL3MBTL1ALDH1A1
SCHEMBL30446303 0.71 KMT2A (1.00) KMT2AMEN1METL3MBTL1ALDH1A1
SCHEMBL2039879 0.71 KMT2A (1.00) KMT2AMEN1METL3MBTL1ALDH1A1
SCHEMBL4073038 0.70 KMT2A (0.53) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL10400093 0.69 SRC (0.47) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8885322 0.67 KMT2A (0.77) KMT2AMEN1KIF18AL3MBTL1ALDH1A1
SCHEMBL20898871 0.67 HTR2A (0.54) KMT2AMEN1L3MBTL1ALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6063790-A TREATMENT OF AIDS UNIVERSITY OF THE SCIENCES IN PHILADELPHIA (US) 2000-05-16 US disclosed