SCHEMBL10696756

SCHEMBL10696756

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ HTR2A P28223 3/20 0.46
▸ HTR2C P28335 3/20 0.46
▸ HTR2B P41595 3/20 0.46
▸ ALDH1A1 P00352 7/20 0.41
▸ PKM P14618 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ LMNA P02545 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ GAA P10253 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ DNMT1 P26358 1/20 0.40
▸ RECQL P46063 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

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
Trimethylammonium SCHEMBL10700655 0.86 ALDH1A1 (0.39) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL10697364 0.82 HTR2C (0.44) MEN1KMT2AHTR2AHTR2CHTR2B
Iodide SCHEMBL10696547 0.81 ALDH1A1 (0.39) MEN1KMT2AHTR2AALDH1A1PKM
SCHEMBL10696361 0.81 NQO2 (0.42) MEN1KMT2AHTR2AALDH1A1PKM
SCHEMBL31543687 0.78 CYP1A2 (0.53) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL9756250 0.73 NR4A2 (0.43) MEN1KMT2AHTR2BALDH1A1PKM
SCHEMBL7832176 0.72 TSHR (0.55) MEN1KMT2AALDH1A1PKMLMNA
SCHEMBL13083665 0.72 GAA (0.50) MEN1KMT2AHTR2AALDH1A1PKM
SCHEMBL13555146 0.72 ALDH1A1 (0.48) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL27554482 0.70 NR4A2 (0.41) MEN1KMT2AHTR2BALDH1A1PKM

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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