SCHEMBL23734738

SCHEMBL23734738

Cc1ccc(Nc2ccc(I)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.61
GAA P10253 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
G6PD P11413 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
APP P05067 2/20 0.48
RAPGEF4 Q8WZA2 1/20 0.48
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 3/20 0.43
ACHE P22303 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.41
HAO1 Q9UJM8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL24570954 0.87 HPGD (0.59) HPGDGAAMEN1KMT2AG6PD
SCHEMBL1306461 0.86 L3MBTL1 (0.50) HPGDGAAMEN1KMT2AL3MBTL1
SCHEMBL9516537 0.86 HPGD (0.78) HPGDGAAMEN1KMT2AG6PD
SCHEMBL50079 0.86 HPGD (0.78) HPGDGAAMEN1KMT2AG6PD
SCHEMBL108881 0.86 HPGD (0.78) HPGDGAAMEN1KMT2AG6PD
Water SCHEMBL8602751 0.83 HPGD (0.74) HPGDGAAMEN1KMT2AG6PD
SCHEMBL158 0.83
SCHEMBL2757577 0.83
SCHEMBL2535941 0.81 HPGD (0.58) HPGDGAAMEN1KMT2AG6PD
Dimethylamine SCHEMBL11708629 0.80 ACHE (0.50) HPGDGAAMEN1KMT2ARAPGEF4

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-3322690-B1 DIARYL AMINE ANTIOXIDANTS PREPARED FROM BRANCHED OLEFINS LANXESS CORP (US) 2021-08-11 EP disclosed