SCHEMBL5517802

SCHEMBL5517802

O=C1OC2(c3ccccc3Oc3cc(Cl)ccc32)c2cc(Cl)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 7/20 0.58
MAPT P10636 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
HTT P42858 2/20 0.58
RECQL P46063 2/20 0.58
BLM P54132 2/20 0.58
PRMT1 Q99873 2/20 0.58
ACE2 Q9BYF1 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
HPGD P15428 2/20 0.58
CYP2C19 P33261 1/20 0.58
SMAD3 P84022 1/20 0.58
CYP3A4 P08684 1/20 0.51
LMNA P02545 3/20 0.50
USP2 O75604 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ALOX12 P18054 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GNG2 P59768 1/20 0.42

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
SCHEMBL10710575 0.96 MAPT (0.55) FTOMAPTMEN1KMT2AHTT
SCHEMBL9903940 0.93 FTO (0.68) FTOMAPTMEN1KMT2AHTT
SCHEMBL1207502 0.90 FTO (0.71) FTOMAPTMEN1KMT2AHTT
SCHEMBL3481392 0.84 FTO (0.50) FTOMAPTMEN1KMT2AHTT
SCHEMBL1209316 0.82 FTO (0.50) FTOMAPTMEN1KMT2AHTT
SCHEMBL16018455 0.82 MAPT (0.61) FTOMAPTMEN1KMT2AHTT
SCHEMBL6405766 0.82 FTO (0.61) FTOMAPTMEN1KMT2AHTT
SCHEMBL12796936 0.82 FTO (0.57) FTOMAPTMEN1KMT2AHTT
SCHEMBL9105623 0.82 FTO (0.57) FTOMAPTMEN1KMT2AHTT
SCHEMBL6900434 0.82 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
US-7220868-B2 Process for the preparation of novel dyes for use in imaging members ZINK IMAGING, LLC (US) 2007-05-22 US claimed