SCHEMBL5679686

SCHEMBL5679686

N=C(N)Nc1cccc2c1S(=O)(=O)NC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 15/20 0.40
CA9 Q16790 15/20 0.40
CA2 P00918 14/20 0.40
CA7 P43166 7/20 0.40
CA1 P00915 5/20 0.40
KDM4E B2RXH2 3/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
BCHE P06276 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
KMT2A Q03164 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE7A Q13946 1/20 0.33

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
SCHEMBL3257815 0.81 ALDH1A1 (0.54) CA12CA9CA2CA7CA1
SCHEMBL6129786 0.80 CA12 (0.46) CA12CA9CA2CA7CA1
SCHEMBL5679724 0.78 NPY4R (0.36) CA12CA9CA2CA7CA1
SCHEMBL11387847 0.73 KMT2A (0.46) CA12CA9CA2CA7CA1
SCHEMBL10656700 0.72 CA12 (0.49) CA12CA9CA2CA7CA1
SCHEMBL193750 0.71 CA12 (0.50) CA12CA9CA2CA7CA1
SCHEMBL230481 0.71 CA9 (0.50) CA12CA9CA2CA7CA1
SCHEMBL2288532 0.68 KMT2A (0.38) CA12CA9CA2CA7CA1
SCHEMBL9179277 0.67 RET (0.53) CA12CA9CA2CA7CA1
SCHEMBL995389 0.67 CA12 (0.50) CA12CA9CA2CA7CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140958-A1 ANTI-(RETRO)VIRAL CONJUGATES OF SACCHARIDES AND ACETAMIDINO OR GUANIDINO COMPOUNDS YEDA RESEARCH AND DEVELOPMENT COMPANY, LTD. (IL) 2001-10-10 EP claimed
WO-2000039139-A1 ANTI-(RETRO)VIRAL CONJUGATES OF SACCHARIDES AND ACETAMIDINO OR GUANIDINO COMPOUNDS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2000-07-06 WO claimed
EP-1140958-B1 ANTI-(RETRO)VIRAL CONJUGATES OF SACCHARIDES AND ACETAMIDINO OR GUANIDINO COMPOUNDS YEDA RES & DEV (IL) 2006-03-15 EP disclosed
US-6642365-B1 Kanamycin, gentamycin or neomycin bonded to arginine; use for treatment of HIV infections and AIDS (acquired immune deficiency disease) YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2003-11-04 US disclosed
EP-1140958-A1 ANTI-(RETRO)VIRAL CONJUGATES OF SACCHARIDES AND ACETAMIDINO OR GUANIDINO COMPOUNDS YEDA RESEARCH AND DEVELOPMENT COMPANY, LTD. (IL) 2001-10-10 EP disclosed
WO-2000039139-A1 ANTI-(RETRO)VIRAL CONJUGATES OF SACCHARIDES AND ACETAMIDINO OR GUANIDINO COMPOUNDS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2000-07-06 WO disclosed