SCHEMBL6415918

SCHEMBL6415918

NCC(=O)NCCc1ccc(N)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.66
CA2 P00918 5/20 0.66
ESRRG P62508 1/20 0.53
ST14 Q9Y5Y6 1/20 0.51
PPID Q08752 1/20 0.51
CA12 O43570 1/20 0.47
GFER P55789 1/20 0.46
HPGD P15428 1/20 0.46
HIF1A Q16665 1/20 0.46
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL6413637 0.86 CA1 (0.55) CA1CA2ESRRGPPIDHPGD
SCHEMBL6976868 0.85 CA1 (0.66) CA1CA2ESRRGST14GFER
SCHEMBL22403771 0.85 HPGD (0.54) CA1CA2ESRRGST14PPID
SCHEMBL6850677 0.85 ESRRG (0.53) CA1CA2ESRRGST14PPID
SCHEMBL19334528 0.84 ACACB (0.56) CA1CA2ESRRGST14PPID
SCHEMBL6415914 0.84 ST14 (0.54) CA1CA2ESRRGST14PPID
SCHEMBL4668612 0.83 CA2 (0.63) CA1CA2CA12HPGDCA9
SCHEMBL15940162 0.82 ESRRG (0.57) CA1CA2ESRRGST14PPID
SCHEMBL21781874 0.81 CA1 (0.64) CA1CA2PPID
SCHEMBL915701 0.81 ESRRG (0.55) CA2ESRRGST14PPIDCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129092-B1 PORPHYRIN COMPOUNDS, THEIR CONJUGATES AND ASSAY METHODS BASED ON THE USE OF SAID CONJUGATES ARCTIC DIAGNOSTICS OY (FI) 2005-02-23 EP disclosed
US-6582930-B1 Porphyrin for use as diagnostic tools in the food industry and pollution control ARCTIC DIAGNOSTICS OY (FI) 2003-06-24 US disclosed
EP-1129092-A1 PORPHYRIN COMPOUNDS, THEIR CONJUGATES AND ASSAY METHODS BASED ON THE USE OF SAID CONJUGATES Arctic Diagnostics OY (FI) 2001-09-05 EP disclosed
WO-2000027847-A1 PORPHYRIN COMPOUNDS, THEIR CONJUGATES AND ASSAY METHODS BASED ON THE USE OF SAID CONJUGATES ARCTIC DIAGNOSTICS OY (FI) 2000-05-18 WO disclosed