SCHEMBL24199561

SCHEMBL24199561

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.40
▸ SPHK2 Q9NRA0 1/20 0.39
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ LOX P28300 2/20 0.35
▸ LOXL2 Q9Y4K0 2/20 0.35
▸ REN P00797 1/20 0.34
▸ TERT O14746 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL24370868 0.90 SMN1; SMN2 (0.40) GAAMAPTKMT2AMEN1TAAR1
SCHEMBL30587015 0.89 F10 (0.42) F10SPHK2GAAMAPTKMT2A
SCHEMBL13634584 0.89 F10 (0.42) F10SPHK2GAAMAPTKMT2A
SCHEMBL21546126 0.89 F10 (0.42) F10SPHK2GAAMAPTKMT2A
SCHEMBL26167876 0.88 LOX (0.43) F10SPHK2GAAMAPTKMT2A
SCHEMBL24370727 0.86 SMN1; SMN2 (0.45) F10SPHK2GAAMAPTKMT2A
SCHEMBL21546137 0.86 PARP1 (0.36) F10KMT2AMEN1TAAR1
SCHEMBL13525981 0.85 F10 (0.38) F10SPHK2GAAMAPTKMT2A
SCHEMBL21546134 0.85 PRSS1 (0.44) F10
SCHEMBL16024506 0.85 SPHK2 (0.44) F10SPHK2GAAMAPTKMT2A

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
US-11225688-B2 Methods for long read sequencing Singular Genomics Systems, Inc. (US) 2022-01-18 — — US disclosed
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