SCHEMBL4976607

SCHEMBL4976607

O=[N+]([O-])c1cc(OCCc2ccccc2Br)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
PDE7A Q13946 1/20 0.40
VCAM1 P19320 6/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 4/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
RAF1 P04049 1/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.39
PAX8 Q06710 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL810907 0.87 PARP10 (0.46) PDE7AVCAM1ALDH1A1MAPTMAPK1
SCHEMBL5067747 0.82 PIN1 (0.54) GPR84VCAM1SMN1; SMN2NPC1RAB9A
SCHEMBL4382272 0.80 MAOA (0.49) GPR84VCAM1ALDH1A1MAPTMAPK1
SCHEMBL4976601 0.79 GPR84 (0.46) GPR84SIRT2VCAM1MAPTMAPK1
SCHEMBL14328006 0.79 DRD2 (0.52) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL7206840 0.77 MAPT (0.47) VCAM1ALDH1A1MAPTMAPK1LMNA
SCHEMBL14290088 0.76 MAPT (0.64) VCAM1ALDH1A1MAPTMAPK1LMNA
SCHEMBL5458467 0.76 VCAM1 (0.49) VCAM1ALDH1A1MAPTMAPK1LMNA
SCHEMBL9513657 0.76 MAPT (0.56) VCAM1ALDH1A1MAPTMAPK1LMNA
SCHEMBL9524443 0.75 VCAM1 (0.48) PDE7AVCAM1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 WO disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO disclosed