SCHEMBL29686762

SCHEMBL29686762

COc1c(-n2cccn2)cccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.48
▸ MAPT P10636 8/20 0.48
▸ MEN1 O00255 8/20 0.48
▸ KMT2A Q03164 8/20 0.48
▸ LMNA P02545 3/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL15690576 1.00 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL17194960 0.81 TDP1 (0.53) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL5242261 0.81 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL30426426 0.81 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL30542997 0.80 MAPT (0.47) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL26122488 0.78 GPR35 (0.53) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL2061964 0.77 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL16964622 0.76 NPC1 (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL20155920 0.75 NPBWR1 (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL24498386 0.75 KDM4E (0.51) ALDH1A1MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283954-A Hydroxamate compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-06-23 — — CN disclosed
CN-114901656-B Hydroximic acid ester compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-04-07 — — CN disclosed
CN-114901656-A Hydroximic acid ester compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-08-12 — — CN disclosed
WO-2022117016-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 深圳微芯生物科技股份有限公司 2022-06-09 — — WO disclosed
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