SCHEMBL6257110

SCHEMBL6257110

NCCOC(=O)c1csc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 1/20 0.40
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.38
ESR1 P03372 1/20 0.37
NPC1 O15118 1/20 0.37
SERPINE1 P05121 2/20 0.37
PTPRC P08575 1/20 0.36
MEN1 O00255 1/20 0.36
GRM8 O00222 2/20 0.36
GRM4 Q14833 2/20 0.36
GRM6 O15303 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL18430485 0.82 NPC1 (0.51) MAPTNPSR1GAAKMT2AALDH1A1
SCHEMBL8496011 0.78 MAPT (0.52) MAPTNPSR1GAAKMT2AALDH1A1
SCHEMBL28371251 0.77 GAA (0.43) MAPTNPSR1GAAKMT2AALDH1A1
SCHEMBL3884152 0.76 MAPT (0.50) MAPTNPSR1GAAKMT2AALDH1A1
SCHEMBL6467711 0.74 CYP3A4 (0.50) MAPTNPSR1GAAKMT2AALDH1A1
SCHEMBL9005060 0.72 GAA (0.49) MAPTNPSR1GAAKMT2APTPRC
SCHEMBL713292 0.72 GAA (0.49) MAPTNPSR1GAAKMT2APTPRC
SCHEMBL3057004 0.71 GAA (0.48) MAPTNPSR1GAAKMT2AALDH1A1
SCHEMBL18499649 0.71 MAPT (0.50) MAPTNPSR1GAAKMT2AALDH1A1
SCHEMBL18430409 0.71 ALOX5 (0.60) MAPTGAAKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068251-B1 COLOURED POLYURETHANES AVECIA INKJET LTD (GB) 2005-10-19 EP disclosed
US-6632858-B1 Polyurethane obtainable from the reaction of a polyisocyanate, a compound providing water-dispersing groups and a colorant having at least two functional groups AVECIA LIMITED (GB) 2003-10-14 US disclosed
CN-1295586-A Coloured polyurethanes AVECIA LTD (GB) 2001-05-16 CN disclosed
EP-1068251-A1 COLOURED POLYURETHANES Avecia Limited (GB) 2001-01-17 EP disclosed
WO-1999050326-A1 COLOURED POLYURETHANES AVECIA LIMITED (GB) 1999-10-07 WO disclosed