SCHEMBL5504429

SCHEMBL5504429

COc1ccccc1C(=O)c1cc(Br)cc(C(N)=O)c1N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 2/20 0.48
RORC P51449 3/20 0.44
RORB Q92753 3/20 0.44
CTSD P07339 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPK14 Q16539 2/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
HTT P42858 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
STS P08842 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
ELANE P08246 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
SCHEMBL1623334 0.84 MAPT (0.46) LMNAALOX15HSD17B10MAPTRORC
SCHEMBL13362727 0.79 ALDH1A1 (0.44) ALOX15HSD17B10MAPTHTT
SCHEMBL1516803 0.77 LMNA (0.48) LMNAALOX15HSD17B10MAPTRORC
SCHEMBL264288 0.77 IRAK4 (0.63) LMNAMAPTCTSDNPC1RAB9A
SCHEMBL29423358 0.77 IRAK4 (0.63) LMNAMAPTCTSDNPC1RAB9A
SCHEMBL29658169 0.76 CTSD (0.62) LMNAALOX15HSD17B10CTSDNPC1
SCHEMBL322168 0.76 CTSD (0.62) LMNAALOX15HSD17B10CTSDNPC1
Hydrochloric Acid SCHEMBL4374712 0.75 IRAK4 (0.61) LMNAMAPTCTSDNPC1RAB9A
SCHEMBL4881322 0.75 IRAK4 (0.61) LMNAMAPTCTSDNPC1RAB9A
SCHEMBL31174577 0.75 IRAK4 (0.61) LMNAMAPTCTSDNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784393-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2007-05-16 EP disclosed
WO-2006028904-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-03-16 WO disclosed