SCHEMBL18159076

SCHEMBL18159076

CC(=O)N[C@H]1C(O)[C@H](O)C(COS(=O)(=O)O)O[C@H]1OCCN=[N+]=[N-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BDNF P23560 3/20 0.58
▸ PTN P21246 2/20 0.58
▸ MDK P21741 2/20 0.58
▸ MAPK1 P28482 1/20 0.47
▸ HPSE Q9Y251 4/20 0.42
▸ CD209 Q9NNX6 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ LGALS8 O00214 1/20 0.39
▸ LGALS3 P17931 1/20 0.39
▸ LGALS4 P56470 1/20 0.39
▸ B4GALT1 P15291 1/20 0.38
▸ BMP2 P12643 1/20 0.38
▸ VEGFA P15692 1/20 0.38
▸ CXCL12 P48061 1/20 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
SCHEMBL20133080 0.84 MAPK1 (0.51) BDNFPTNMDKMAPK1HPSE
SCHEMBL31536871 0.84 MAPK1 (0.65) MAPK1CD209MEN1KMT2AALDH1A1
SCHEMBL14279439 0.84 MAPK1 (0.65) MAPK1CD209MEN1KMT2AALDH1A1
SCHEMBL17101773 0.84 MAPK1 (0.65) MAPK1CD209MEN1KMT2AALDH1A1
SCHEMBL17287178 0.84 MAPK1 (0.65) MAPK1CD209MEN1KMT2AALDH1A1
SCHEMBL25173191 0.84 MAPK1 (0.65) MAPK1CD209MEN1KMT2AALDH1A1
SCHEMBL18159115 0.82 BDNF (0.59) BDNFPTNMDKMAPK1HPSE
SCHEMBL23883103 0.81 MAPK1 (0.61) BDNFPTNMDKMAPK1CD209
SCHEMBL17002053 0.81 CA2 (0.47) BDNFPTNMDKMAPK1HPSE
SCHEMBL23099447 0.81 MAPK1 (0.50) BDNFPTNMDKMAPK1CD209

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016168302-A1 SUPRAMOLECULAR GLYCONANOSTRUCTURES NORTHWESTERN UNIVERSITY (US) 2016-10-20 — — WO disclosed
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