SCHEMBL5087943

SCHEMBL5087943

N#Cc1nccc([N+](=O)[O-])c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.47
TDP1 Q9NUW8 4/20 0.43
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 6/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
PIN1 Q13526 2/20 0.40
MAPT P10636 5/20 0.37
PKM P14618 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSP90AA1 P07900 1/20 0.37
OPRK1 P41145 1/20 0.37
RECQL P46063 1/20 0.37
MERTK Q12866 2/20 0.35
MAPK1 P28482 1/20 0.35
GRM6 O15303 1/20 0.35
GRIA1 P42261 1/20 0.35

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
SCHEMBL28011450 0.76 VCAM1 (0.44) VCAM1TDP1ALDH1A1KDM4EKMT2A
SCHEMBL1522100 0.76 TDP1 (0.50) VCAM1TDP1ALDH1A1KDM4EKMT2A
SCHEMBL2238161 0.76 ALDH1A1 (0.38) VCAM1TDP1ALDH1A1KDM4EKMT2A
SCHEMBL30832623 0.75 PDE10A (0.51) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL126343 0.75 PDE10A (0.51) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL27912760 0.74 TDP1 (0.48) TDP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL7676817 0.73 TDP1 (0.47) VCAM1TDP1ALDH1A1KDM4EKMT2A
SCHEMBL27734949 0.73 TDP1 (0.47) TDP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL3938268 0.72 TDP1 (0.56) TDP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL3065093 0.72 RAB9A (0.39) ALDH1A1KDM4EKMT2AMAPTPKM

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-1962847-A2 PYRIDINYL SULFONAMIDE MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2008-09-03 EP disclosed
WO-2007067875-A2 PYRIDINYL SULFONAMIDE MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMTED (GB) 2007-06-14 WO disclosed