SCHEMBL10697364

SCHEMBL10697364

COC(=O)Cc1c[nH]c2ccc(O)c(CCN)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 6/20 0.44
▸ GAA P10253 3/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ HTR2A P28223 5/20 0.41
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ RECQL P46063 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ DNMT1 P26358 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTR1A P08908 5/20 0.40
▸ HTR1D P28221 4/20 0.40
▸ HTR1B P28222 4/20 0.40

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
SCHEMBL10696361 0.83 NQO2 (0.42) GAANPSR1HTR2AMAPTMEN1
SCHEMBL10696756 0.82 MEN1 (0.46) HTR2CGAANPSR1HTR2AMAPT
Trimethylammonium SCHEMBL10700655 0.81 ALDH1A1 (0.39) HTR2CGAANPSR1HTR2AMAPT
Iodide SCHEMBL10696547 0.81 ALDH1A1 (0.39) GAANPSR1HTR2AMAPTMEN1
SCHEMBL13083665 0.75 GAA (0.50) GAANPSR1HTR2AMAPTMEN1
SCHEMBL9756250 0.73 NR4A2 (0.43) GAANPSR1MAPTMEN1KMT2A
SCHEMBL2461799 0.73 KDM4E (0.60) HTR2CGAANPSR1HTR2AMAPT
SCHEMBL27554482 0.70 NR4A2 (0.41) GAANPSR1MAPTMEN1KMT2A
SCHEMBL13555146 0.69 ALDH1A1 (0.48) HTR2CGAANPSR1HTR2AMAPT
SCHEMBL3560986 0.69 ALDH1A1 (0.48) GAANPSR1HTR2AMAPTMEN1

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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