SCHEMBL23099447

SCHEMBL23099447

CC(=O)NC1C(O)[C@H](O)C(O)O[C@H]1OCCN=[N+]=[N-]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LGALS8 O00214 1/20 0.40
▸ LGALS3 P17931 1/20 0.40
▸ LGALS4 P56470 1/20 0.40
▸ BDNF P23560 3/20 0.40
▸ PTN P21246 2/20 0.40
▸ MDK P21741 2/20 0.40
▸ SIGLEC7 Q9Y286 3/20 0.37
▸ CD209 Q9NNX6 1/20 0.37
▸ CD69 Q07108 1/20 0.35
▸ B4GALT1 P15291 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
SCHEMBL17101773 0.89 MAPK1 (0.65) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL14279439 0.89 MAPK1 (0.65) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL31536871 0.89 MAPK1 (0.65) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL25173191 0.89 MAPK1 (0.65) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL17287178 0.89 MAPK1 (0.65) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL23883103 0.86 MAPK1 (0.61) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL24415100 0.82 MAPK1 (0.60) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL17253577 0.82 MAPK1 (0.60) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL22806682 0.82 MAPK1 (0.60) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL31536695 0.82 MAPK1 (0.60) MAPK1ALDH1A1THRBMEN1KMT2A

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-2021047699-A1 GLYCOPOLYMER, METHOD OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENT USTAV MAKROMOLEKULARNI CHEMIE AV CR, V. V.I. (CZ) 2021-03-18 — — WO disclosed
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