SCHEMBL6590971

SCHEMBL6590971

O=C(O)c1cc(OS(=O)(=O)C(F)(F)F)c2cccc([N+](=O)[O-])c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.42
APP P05067 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
GPR35 Q9HC97 1/20 0.38
ALOX15 P16050 1/20 0.36
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EIF4A1 P60842 1/20 0.35
APEX1 P27695 1/20 0.35
PTPN1 P18031 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 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
SCHEMBL6590986 1.00 MMP2 (0.42) MMP2APPALDH1A1PDE4APDE4C
SCHEMBL6080201 0.89 APP (0.50) MMP2APPALDH1A1PDE4APDE4C
SCHEMBL6537497 0.78 ALDH1A1 (0.52) ALDH1A1PDE4APDE4CPDE4DALOX15
SCHEMBL6592928 0.76 CTSV (0.47) APPL3MBTL1
SCHEMBL6592924 0.76 CTSV (0.47) APPL3MBTL1
SCHEMBL6080203 0.76 TSHR (0.40) MMP2ALDH1A1PDE4APDE4CPDE4D
SCHEMBL6596638 0.76 MRGPRX4 (0.44) MAPTL3MBTL1DHODH
SCHEMBL6590529 0.76 KMT2A (0.48) ALDH1A1PDE4DGPR35ALOX15MEN1
SCHEMBL6080952 0.76 KMT2A (0.48) ALDH1A1PDE4DGPR35ALOX15MEN1
SCHEMBL6591021 0.74 MEN1 (0.54) ALDH1A1GPR35ALOX15MEN1KMT2A

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-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