SCHEMBL28180355

SCHEMBL28180355

O=C(O)C1(C(=O)O)C(c2ccccc2)=C(c2cccc([N+](=O)[O-])c2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ GSK3B P49841 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ AKR1C3 P42330 2/20 0.43
▸ AKR1C2 P52895 2/20 0.43
▸ PTPRC P08575 1/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
Iodide SCHEMBL27148619 0.71 TSHR (0.64) ALDH1A1MAPTMEN1KMT2APTPRC
SCHEMBL11794814 0.70 SLC6A4 (0.49) ALDH1A1MAPTGSK3BMEN1KMT2A
SCHEMBL2009026 0.69 TSHR (0.67) ALDH1A1MAPTMEN1KMT2APTPRC
SCHEMBL29526232 0.69 TSHR (0.67) ALDH1A1MAPTMEN1KMT2APTPRC
Iodide SCHEMBL28598177 0.69 TSHR (0.73) ALDH1A1MAPTMEN1KMT2ARAB9A
Iodide SCHEMBL30804629 0.69 TSHR (0.73) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL30469335 0.68 TSHR (0.64) ALDH1A1MAPTMEN1KMT2APTPRC
SCHEMBL6804031 0.68 TSHR (0.64) ALDH1A1MAPTMEN1KMT2APTPRC
SCHEMBL7838339 0.68 LMNA (0.64) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL18663308 0.68 TDP1 (0.38) ALDH1A1MAPTNPSR1RAB9ASMN1; SMN2

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
CN-104017113-B Catalytic component for olefinic polymerization and the catalyst containing the catalytic component and its application 北京利和知信科技有限公司 2018-04-03 — — CN disclosed
CN-104109212-B Solid catalyst component for olefine polymerization and catalyst 北京利和知信科技有限公司 2017-11-07 — — CN disclosed
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