SCHEMBL10696361

SCHEMBL10696361

COC(=O)Cc1c[nH]c2ccc(O)c(CC[N+](=O)[O-])c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 2/20 0.42
▸ MTNR1A P48039 2/20 0.42
▸ MTNR1B P49286 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.40
▸ GAA P10253 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ DNMT1 P26358 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL10697364 0.83 HTR2C (0.44) ALDH1A1GAAMAPTLMNANPSR1
SCHEMBL10696756 0.81 MEN1 (0.46) ALDH1A1GAAMAPTLMNANPSR1
Trimethylammonium SCHEMBL10700655 0.78 ALDH1A1 (0.39) MTNR1AMTNR1BALDH1A1GAAMAPT
Iodide SCHEMBL10696547 0.78 ALDH1A1 (0.39) NQO2MTNR1AMTNR1BALDH1A1GAA
SCHEMBL12627953 0.72 NPC1 (0.53) NQO2MTNR1AMTNR1BALDH1A1GAA
SCHEMBL9756250 0.70 NR4A2 (0.43) NQO2MTNR1AMTNR1BALDH1A1GAA
SCHEMBL13083665 0.69 GAA (0.50) MTNR1AMTNR1BALDH1A1GAAMAPT
SCHEMBL31332158 0.68 NR4A2 (0.49) NQO2MTNR1AMTNR1BALDH1A1GAA
SCHEMBL743219 0.68 NR4A2 (0.49) NQO2MTNR1AMTNR1BALDH1A1GAA
SCHEMBL27554482 0.67 NR4A2 (0.41) NQO2MTNR1AMTNR1BALDH1A1GAA

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
EP-0252404-A2 5-Hydroxy-3-indoleacetic acid fluorescence polarization immunoassay ABBOTT LABORATORIES (US) 1988-01-13 — — EP disclosed
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