SCHEMBL7844569

SCHEMBL7844569

O=C(c1ccccc1)C1ON1S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 2/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
EPHX1 P07099 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP2D6 P10635 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
CYP2C9 P11712 1/20 0.38
RAB9A P51151 1/20 0.38
HSD11B1 P28845 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
SCHEMBL14355137 0.77 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1PKMHTT
SCHEMBL8567044 0.73 L3MBTL1 (0.42) ALDH1A1KMT2AMEN1PKMHTT
SCHEMBL19020647 0.72 L3MBTL1 (0.53) ALDH1A1KMT2AMEN1L3MBTL1CYP2D6
SCHEMBL113055 0.69 ALDH1A1 (0.49) ALDH1A1KMT2APKML3MBTL1CYP2D6
SCHEMBL2338341 0.69 ALDH1A1 (0.49) ALDH1A1KMT2APKML3MBTL1CYP2D6
SCHEMBL2223806 0.69 ALDH1A1 (0.49) ALDH1A1KMT2APKML3MBTL1CYP2D6
SCHEMBL13663248 0.69 ALDH1A1 (0.49) ALDH1A1KMT2APKML3MBTL1CYP2D6
SCHEMBL13663246 0.69 ALDH1A1 (0.49) ALDH1A1KMT2APKML3MBTL1CYP2D6
SCHEMBL113655 0.69 ALDH1A1 (0.49) ALDH1A1KMT2APKML3MBTL1CYP2D6
SCHEMBL5472868 0.67 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711773-B1 HYMENIALDISINE AND DERIVATIVE THEREOF, PROCESS FOR PRODUCING INTERMEDIATE FOR SYNTHESIZING THE SAME, AND SAID INTERMEDIATE SUNTORY LTD (JP) 2001-09-12 EP disclosed
US-5621099-A CARDIOVASCULAR DISORDERS SUNTORY LIMITED (JP) 1997-04-15 US disclosed
EP-0711773-A1 HYMENIALDISINE AND DERIVATIVE THEREOF, PROCESS FOR PRODUCING INTERMEDIATE FOR SYNTHESIZING THE SAME, AND SAID INTERMEDIATE SUNTORY LIMITED (JP) 1996-05-15 EP disclosed