SCHEMBL8019359

SCHEMBL8019359

Nc1ccc(CCS(=O)(=O)CCOS(=O)(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.51
GFER P55789 1/20 0.42
CA2 P00918 3/20 0.38
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
MAOB P27338 4/20 0.37
MAOA P21397 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
NT5E P21589 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 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
SCHEMBL9002486 0.86 RECQL (0.48) RECQLGFERCA2MAOBMAOA
SCHEMBL7718107 0.85 RECQL (0.41) RECQLGFERCA2ALDH1A1TSHR
SCHEMBL11281060 0.84 RECQL (0.69) RECQLGFERCA2MMP12MMP13
SCHEMBL6935649 0.81 RECQL (0.44) RECQLGFERCA2MAOBMAOA
SCHEMBL9177474 0.79 RECQL (0.58) RECQLGFERCA2MMP12MMP13
SCHEMBL9471236 0.78 TDP1 (0.40) RECQLCA2ALDH1A1TSHRNT5E
SCHEMBL8899345 0.76 RECQL (0.64) RECQLGFERCA2MAOBMAOA
SCHEMBL10765545 0.74 RECQL (0.62) RECQLGFERCA2MMP12MMP13
SCHEMBL3434223 0.74 TSHR (0.45) RECQLCA2MMP13MAOAALDH1A1
SCHEMBL314732 0.74 TSHR (0.50) CA2MMP13ALDH1A1TSHRNT5E

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-6060591-A FOR DYEING A MATERIAL CONTAINING HYDROXY OR CARBOXAMIDE GROUPS OR BOTH DY STAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND K.G. (DE) 2000-05-09 US disclosed
US-5420256-A 2-amino-4-phenylamino-1,3,5-triazinyl reactive dyestuffs, process for their preparation and their use dye cellulose or polyamides BAYER AKTIENGESELLSCHAFT (DE) 1995-05-30 US disclosed