SCHEMBL6592020

SCHEMBL6592020

O=C(O)c1cc(O)c2cc(Br)cc([N+](=O)[O-])c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.41
FBP1 P09467 1/20 0.41
ERN1 O75460 1/20 0.39
IGFBP3 P17936 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CDK2 P24941 1/20 0.34
SNCA P37840 1/20 0.34
CTSB P07858 2/20 0.34
TPMT P51580 1/20 0.34
CTSH P09668 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL6592024 1.00 GPR35 (0.41) GPR35FBP1ERN1IGFBP3ALDH1A1
SCHEMBL6080243 0.84 ABCB1 (0.38) GPR35ERN1ALDH1A1MEN1MAPT
SCHEMBL6592301 0.83 ALDH1A1 (0.44) GPR35FBP1IGFBP3ALDH1A1MEN1
SCHEMBL6592306 0.83 ALDH1A1 (0.44) GPR35FBP1IGFBP3ALDH1A1MEN1
SCHEMBL6080581 0.81 GPR35 (0.39) GPR35IGFBP3ALDH1A1MAPTKMT2A
SCHEMBL6591421 0.80 VCAM1 (0.43) IGFBP3MEN1MAPTKMT2ACA1
SCHEMBL6591416 0.80 VCAM1 (0.43) IGFBP3MEN1MAPTKMT2ACA1
SCHEMBL6594055 0.80 CRHBP (0.52) FBP1ERN1IGFBP3MEN1KMT2A
SCHEMBL6594049 0.80 CRHBP (0.52) FBP1ERN1IGFBP3MEN1KMT2A
SCHEMBL6080952 0.79 KMT2A (0.48) GPR35IGFBP3ALDH1A1MEN1MAPT

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-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed