SCHEMBL7304349

SCHEMBL7304349

COc1ccccc1Oc1c(O)nc(-c2cccs2)nc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
ABCB1 P08183 1/20 0.45
ABCC1 P33527 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
RPS6KB2 Q9UBS0 2/20 0.44
KDM4E B2RXH2 3/20 0.44
ADORA3 P0DMS8 1/20 0.44
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL7301901 0.83 DHPS (0.53) RAB9ANPC1SMN1; SMN2ABCB1ABCC1
SCHEMBL28568819 0.78 DHPS (0.59) ALDH1A1MEN1KMT2AMAPT
SCHEMBL4061462 0.77 DHPS (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL7483960 0.77 HTT (0.48) SMN1; SMN2KDM4EALDH1A1MAPTHTT
SCHEMBL8073660 0.77 KDM4E (0.44) RAB9ANPC1SMN1; SMN2ABCB1ABCC1
SCHEMBL8070472 0.77 XPO1 (0.58) RAB9ANPC1SMN1; SMN2ABCB1ABCC1
SCHEMBL1937757 0.77 EDNRA (0.49)
SCHEMBL5632966 0.76 HTT (0.47) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL5631066 0.74 HTT (0.46) ALDH1A1HTTMAPK1HSD17B10TSHR
SCHEMBL8070339 0.74 RPS6KB2 (0.57) RAB9ANPC1SMN1; SMN2ABCB1ABCC1

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-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP disclosed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP disclosed