SCHEMBL22498539

SCHEMBL22498539

N=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccccc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 2/20 0.47
TAS2R14 Q9NYV8 1/20 0.46
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
SGMS2 Q8NHU3 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX1 P07099 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
LRRK2 Q5S007 3/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
PARP1 P09874 1/20 0.41
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL22498458 0.85 NPC1 (0.51) MAPTLMNAMEN1KMT2AGAA
SCHEMBL22498654 0.83 NPC1 (0.51) MAPTLMNAMEN1KMT2AGAA
SCHEMBL22498425 0.83 TAS2R14 (0.46) MEN1KMT2AGAATAS2R14SGMS2
SCHEMBL22498535 0.82 LRRK2 (0.49) MAPTLMNAMEN1KMT2AGAA
SCHEMBL22498482 0.80 LRRK2 (0.52) MAPTLMNAMEN1KMT2AGAA
SCHEMBL22498480 0.80 GAA (0.60) MAPTLMNAMEN1KMT2AGAA
SCHEMBL22498433 0.77 LRRK2 (0.48) MAPTLMNAMEN1KMT2AGAA
SCHEMBL22498469 0.74 LRRK2 (0.46) MAPTLMNAMEN1KMT2AGAA
SCHEMBL22498588 0.73 LRRK2 (0.54) MAPTMEN1KMT2AGAAHTT
SCHEMBL5017371 0.70 AR (0.53) MAPTLMNAGAASMN1; SMN2L3MBTL1

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-2020201305-A1 4-(2,4-BIS(2-HYDROXYPHENYL)-1H-IMIDAZOL-1-YL)BENZOIC ACID DERIVATIVES AS NOVEL IRON CHELATORS VIFOR (INTERNATIONAL) AG (CH) 2020-10-08 WO disclosed