SCHEMBL5884933

SCHEMBL5884933

O=C(O)CNc1nc(O)nc(NCC(=O)O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
CA14 Q9ULX7 4/20 0.46
MMP2 P08253 1/20 0.45
MMP7 P09237 1/20 0.45
MMP10 P09238 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
CA4 P22748 3/20 0.42
CA6 P23280 3/20 0.42
CA5A P35218 3/20 0.42
CA7 P43166 3/20 0.42
CA13 Q8N1Q1 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
CA3 P07451 1/20 0.39
KDM4E B2RXH2 2/20 0.39
KLK7 P49862 1/20 0.39
RAB9A P51151 2/20 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
SCHEMBL721907 0.91 CA12 (0.51) CA12CA1CA2CA9CA14
SCHEMBL26985249 0.86 CA1 (0.41) CA12CA1CA2CA9CA14
SCHEMBL9438755 0.80 CA12 (0.59) CA12CA1CA2CA9CA14
SCHEMBL17089132 0.80 CA1 (0.45) CA12CA1CA2CA9CA14
SCHEMBL1870258 0.80 CA1 (0.49) CA12CA1CA2CA9CA14
SCHEMBL4292023 0.76 CA12 (0.55) CA12CA1CA2CA9CA14
SCHEMBL5488954 0.76 CA12 (0.51) CA12CA1CA2CA9CA14
SCHEMBL15440765 0.76 CYP1A2 (0.48) CA12CA1CA2CA9CA14
Water SCHEMBL11190091 0.74 CA12 (0.54) CA12CA1CA2CA9CA14
SCHEMBL16134191 0.74 CA12 (0.44) CA12CA1CA2CA9CA14

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
US-7135062-B2 Hydrophilic coloring matter for recording image, aqueous coloring agent for recording image, method and device for recording image DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2006-11-14 US disclosed
EP-1650268-A1 HYDROPHILIC COLORING MATTER FOR RECORDING IMAGE, AQUEOUS COLORING AGENT FOR RECORDING IMAGE, METHOD AND DEVICE FOR RECORDING IMAGE DAINICHISEIKA COLOR & CHEMICALS MFG. CO. LTD. (JP) 2006-04-26 EP disclosed
US-20050235874-A1 Hydrophilic coloring matter for recording image, aqueous coloring agent for recording image, method and device for recording image DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2005-10-27 US disclosed