SCHEMBL21546126

SCHEMBL21546126

[N-]=[N+]=N[C@H](COc1cccc(C(=O)NCCN)c1)OCCOCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.42
▸ SPHK2 Q9NRA0 1/20 0.42
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ LOXL2 Q9Y4K0 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ LOX P28300 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
SCHEMBL13634584 1.00 F10 (0.42) F10SPHK2ITGB3ITGA2BKMT2A
SCHEMBL30587015 1.00 F10 (0.42) F10SPHK2ITGB3ITGA2BKMT2A
SCHEMBL25093166 0.94 F10 (0.41) F10SPHK2ITGB3ITGA2BKMT2A
SCHEMBL19275855 0.93 KMT2A (0.39) F10ITGB3ITGA2BKMT2AMEN1
SCHEMBL24370727 0.91 SMN1; SMN2 (0.45) F10SPHK2ITGB3ITGA2BKMT2A
SCHEMBL21538137 0.90 KMT2A (0.39) F10KMT2AMEN1TAAR1GAA
SCHEMBL14611467 0.90 SMN1; SMN2 (0.45) KMT2AMEN1TAAR1GAAMAPT
SCHEMBL13525981 0.90 F10 (0.38) F10SPHK2KMT2AMEN1TAAR1
SCHEMBL26167876 0.89 LOX (0.43) F10SPHK2ITGB3ITGA2BKMT2A
SCHEMBL24199561 0.89 F10 (0.40) F10SPHK2ITGB3ITGA2BKMT2A

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
EP-3564387-A1 SINGLE FLUORESCENT DYE BASED SEQUENCING METHOD BGI Shenzhen (CN) 2019-11-06 — — EP disclosed
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