SCHEMBL6413637

SCHEMBL6413637

NCCC(=O)NCCc1ccc(N)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
NCOR2 Q9Y618 2/20 0.51
HDAC4 P56524 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HPGD P15428 1/20 0.51
CA9 Q16790 2/20 0.50
ALDH1A1 P00352 1/20 0.50
ESRRG P62508 1/20 0.50
PPID Q08752 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL22403771 0.89 HPGD (0.54) CA1CA2HPGDCA9ALDH1A1
SCHEMBL583496 0.87 CA1 (0.60) CA1CA2HDAC3HDAC1HDAC2
SCHEMBL22621335 0.86 KDM4E (0.59) CA1CA2HDAC3HDAC1HDAC2
SCHEMBL3825861 0.86 HDAC3 (0.68) CA2HDAC3HDAC1HDAC2HDAC10
SCHEMBL6415918 0.86 CA1 (0.66) CA1CA2HPGDCA9ALDH1A1
SCHEMBL19334423 0.85 TSHR (0.67) CA1CA2HPGDCA9ALDH1A1
SCHEMBL6413635 0.85 ST14 (0.51) CA1CA2HDAC3HDAC1HDAC2
SCHEMBL12460593 0.83 CA1 (0.52) CA1CA2HDAC3HDAC1HDAC2
SCHEMBL6850677 0.82 ESRRG (0.53) CA1CA2HPGDCA9ALDH1A1
SCHEMBL15358707 0.81 STS (0.64) HPGDALDH1A1HSD17B10

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