SCHEMBL9734620

SCHEMBL9734620

O=C1Oc2cc(O)ccc2CC1([SeH])c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
SMAD3 P84022 1/20 0.38
PRMT1 Q99873 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
FTO Q9C0B1 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 3/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 2/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL17867147 0.72 ALDH1A1 (0.37) HPGDMAPTMEN1KMT2ATDP1
SCHEMBL6756483 0.72 CFTR (0.35) MEN1KMT2AALDH1A1GAACYP2C9
SCHEMBL28511938 0.70 FTO (0.47) HPGDMAPTMEN1KMT2ATDP1
SCHEMBL10481379 0.67 KMT2A (0.48) HPGDMAPTMEN1KMT2ATDP1
SCHEMBL28503311 0.65 FTO (0.44) HPGDMAPTMEN1KMT2ATDP1
SCHEMBL14740590 0.64 FTO (0.50) HPGDMAPTMEN1KMT2ATDP1
SCHEMBL29372231 0.64 ESR2 (0.44) HPGDMAPTMEN1KMT2ATDP1
SCHEMBL29452872 0.64 FTO (0.50) HPGDMAPTMEN1KMT2ATDP1
SCHEMBL27189627 0.64 FTO (0.43) HPGDMAPTMEN1KMT2ATDP1
SCHEMBL754484 0.64 MAOA (0.38) ALDH1A1GAAMAOAMAOB

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
US-5081044-A Detection of hydrogen peroxide with optical indicator chalcogen compounds MILES INC. (US) 1992-01-14 US disclosed
US-4996332-A On oxidation produce fluorescent signals in analytical systems MILES INC. (US) 1991-02-26 US disclosed
EP-0121743-B1 OPTICAL INDICATOR CHALCOGEN COMPOUNDS AND USE MILES LABORATORIES, INC. (US) 1987-09-09 EP disclosed
EP-0121743-A2 Optical indicator chalcogen compounds and use MILES LABORATORIES, INC. (US) 1984-10-17 EP disclosed