SCHEMBL20067655

SCHEMBL20067655

O=CNCC(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.56
▸ ALDH1A1 P00352 8/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MAPT P10636 7/20 0.47
▸ POLB P06746 2/20 0.47
▸ KMT2A Q03164 9/20 0.46
▸ MEN1 O00255 6/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 2/20 0.45
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MYOC Q99972 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL18975680 0.84 HTR2A (0.63) HTR2AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL16453918 0.83 HTR2A (0.57) HTR2AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL3037119 0.83 HTR2A (0.68) HTR2AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL25189373 0.83 HTR2A (0.65) HTR2AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL20467732 0.83 HTR2A (0.54) HTR2AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL17856871 0.82 HTR2A (0.57) HTR2AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL5827968 0.81 HTR2A (0.80) HTR2AALDH1A1MAPK1L3MBTL1HTT
SCHEMBL20467625 0.81 ALDH1A1 (0.65) HTR2AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL29878239 0.81 ALDH1A1 (0.60) HTR2AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL19733671 0.80 ALDH1A1 (0.59) HTR2AALDH1A1MAPK1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024011135-A2 MUSCLE TARGETING COMPLEXES AND USES THEREOF FOR TREATING FACIOSCAPULOHUMERAL MUSCULAR DYSTROPHY DYNE THERAPEUTICS, INC. (US) 2024-01-11 — — WO disclosed
WO-2018069375-A1 NON-LINEAR SELF-IMMOLATIVE LINKERS AND CONJUGATES THEREOF SYNTHON BIOPHARMACEUTICALS B.V. (NL) 2018-04-19 — — WO disclosed
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