SCHEMBL5804241

SCHEMBL5804241

O=C1OC2(c3ccc(O)cc3Oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc32)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 7/20 0.61
MAPT P10636 6/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
HTT P42858 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
HPGD P15428 1/20 0.61
CYP2C19 P33261 1/20 0.61
RECQL P46063 1/20 0.61
BLM P54132 1/20 0.61
SMAD3 P84022 1/20 0.61
PRMT1 Q99873 1/20 0.61
ACE2 Q9BYF1 1/20 0.61
CYP3A4 P08684 1/20 0.58
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.52
USP2 O75604 1/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 1/20 0.45

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
SCHEMBL5802852 0.95 CYP3A4 (0.63) FTOMAPTMEN1KMT2AHTT
Fluorescein SCHEMBL5804238 0.91 FTO (0.66) FTOMAPTMEN1KMT2AHTT
SCHEMBL6405574 0.83 CYP3A4 (0.74) FTOMAPTMEN1KMT2AHTT
SCHEMBL19153208 0.82 FTO (0.75) FTOMAPTMEN1KMT2AHTT
SCHEMBL3164943 0.81 CYP3A4 (0.87) FTOMAPTMEN1KMT2AHTT
SCHEMBL16001403 0.81 CYP3A4 (0.64) FTOMAPTMEN1KMT2AHTT
SCHEMBL20280256 0.80 CYP3A4 (0.73) FTOMAPTMEN1KMT2AHTT
Fluorescein SCHEMBL27917033 0.80 FTO (0.67) FTOMAPTMEN1KMT2AHTT
Fluorescein SCHEMBL7740743 0.80 FTO (0.82) FTOMAPTMEN1KMT2AHTT
SCHEMBL4663321 0.80 FTO (0.82) FTOMAPTMEN1KMT2AHTT

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
WO-2006100417-A1 ENZYME DETECTION METHOD AND REAGENT GE HEALTHCARE UK LIMITED (GB) 2006-09-28 WO disclosed