SCHEMBL29664185

SCHEMBL29664185

O=[N+]([O-])c1ccc(Nc2ccc(F)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX12 P18054 3/20 0.68
▸ HPGD P15428 3/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.68
▸ MEN1 O00255 6/20 0.65
▸ KMT2A Q03164 6/20 0.65
▸ HSPB1 P04792 1/20 0.60
▸ PIK3CA P42336 1/20 0.57
▸ PIK3CB P42338 1/20 0.57
▸ PIK3CG P48736 1/20 0.57
▸ ALDH1A1 P00352 5/20 0.57
▸ MAPT P10636 5/20 0.57
▸ HTT P42858 3/20 0.57
▸ GAA P10253 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ PKM P14618 2/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ RECQL P46063 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ POLB P06746 1/20 0.55

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
SCHEMBL4957626 0.89 HPGD (0.83) ALOX12HPGDL3MBTL1MEN1KMT2A
SCHEMBL18289621 0.89 HPGD (0.83) ALOX12HPGDL3MBTL1MEN1KMT2A
SCHEMBL395942 0.89 HPGD (0.83) ALOX12HPGDL3MBTL1MEN1KMT2A
SCHEMBL18289622 0.89 HPGD (0.83) ALOX12HPGDL3MBTL1MEN1KMT2A
SCHEMBL11799014 0.88 MEN1 (0.66) ALOX12HPGDL3MBTL1MEN1KMT2A
SCHEMBL7026994 0.87 HSPB1 (0.75) ALOX12HPGDMEN1KMT2AHSPB1
SCHEMBL536 0.87 HSPB1 (0.75) ALOX12HPGDMEN1KMT2AHSPB1
Fluoride SCHEMBL4551986 0.84 HSPB1 (0.72) ALOX12HPGDMEN1KMT2AHSPB1
Fluoride SCHEMBL4551988 0.84 HSPB1 (0.72) ALOX12HPGDMEN1KMT2AHSPB1
SCHEMBL28001935 0.84 HSPB1 (0.72) ALOX12HPGDMEN1KMT2AHSPB1

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-111072960-B Polyimide with high barrier property and preparation method and application thereof 湖南工业大学 2022-04-01 — — CN disclosed
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