SCHEMBL7796947

SCHEMBL7796947

Nc1ccc(S(=O)(=O)CCN2CCN(CC(=O)O)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LOX P28300 4/20 0.42
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.40
TSHR P16473 2/20 0.40
DHFR P00374 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NT5E P21589 1/20 0.40
EPHX2 P34913 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL7798812 0.82 LMNA (0.51) ALDH1A1GAAMEN1KMT2ALOX
Tetraxetan SCHEMBL861961 0.81 SLC6A9 (0.49) ALDH1A1GAAPOLBSMN1; SMN2TDP1
SCHEMBL56319 0.80 LOX (0.57) ALDH1A1GAAMEN1KMT2ALOX
SCHEMBL5261643 0.78 KMT2A (0.72) ALDH1A1GAAMEN1KMT2ALOX
SCHEMBL6550220 0.76 SIGMAR1 (0.60) ALDH1A1MEN1KMT2AMAPK1TSHR
SCHEMBL7874006 0.73 HTT (0.62) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL14304331 0.73 LOX (0.60) ALDH1A1GAALOXTSHREPHX2
SCHEMBL15651574 0.72 LTA4H (0.60) ALDH1A1MEN1KMT2A
SCHEMBL8655258 0.72 LMNA (0.59) ALDH1A1MAPK1
SCHEMBL13723844 0.72 MAPT (0.59) ALDH1A1GAAMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888406-B1 AZO COMPOUNDS AVECIA LTD (GB) 2001-12-12 EP disclosed
US-6008331-A USEFUL AS BLACK COLORANTS FOR INK JET PRINTING INKS ZENECA LIMITED (GB) 1999-12-28 US disclosed
EP-0888406-A1 AZO COMPOUNDS ZENECA LIMITED (GB) 1999-01-07 EP disclosed
WO-1997032931-A1 AZO COMPOUNDS ZENECA LIMITED (GB) 1997-09-12 WO disclosed