SCHEMBL28590573

SCHEMBL28590573

C=C(C(=O)OCC)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ MAPT P10636 7/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPK1 P28482 4/20 0.48
▸ LMNA P02545 4/20 0.48
▸ GAA P10253 1/20 0.48
▸ GLO1 Q04760 1/20 0.48
▸ CES2 O00748 1/20 0.47
▸ TDP1 Q9NUW8 3/20 0.46
▸ MITF O75030 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL6750268 0.83 SMN1; SMN2 (0.65) ALDH1A1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL17202783 0.82 ALDH1A1 (0.54) ALDH1A1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL10864814 0.79 GLO1 (0.49) ALDH1A1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL11568780 0.79 MAPT (0.51) ALDH1A1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL989658 0.78 CES2 (0.59) ALDH1A1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL989661 0.78 CES2 (0.59) ALDH1A1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL28969553 0.78 GABRP (0.50) —
SCHEMBL7818630 0.77 GLO1 (0.59) ALDH1A1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL28025826 0.77 MAPT (0.53) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL7644568 0.77 CYP1A2 (0.62) ALDH1A1KMT2ASMN1; SMN2MAPTKDM4E

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
CN-107011924-B Photoalignment materials with side substitution 罗利克有限公司 2021-06-01 — — CN disclosed
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