SCHEMBL1695161

SCHEMBL1695161

CCOC(=O)Cc1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.48
CYP1A2 P05177 1/20 0.46
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT1 P17948 1/20 0.45
FGFR3 P22607 1/20 0.45
KDR P35968 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
PDK1 Q15118 1/20 0.42
POLB P06746 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 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
SCHEMBL28941074 0.89 EGFR (0.51) EGFRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL27847284 0.87 ALDH1A1 (0.52) ALDH1A1LMNATDP1MAPK1MAPT
SCHEMBL13400411 0.87 TSHR (0.49) CYP1A2PDGFRBFGFR1PDGFRAFLT1
SCHEMBL21824095 0.86 ALDH1A1 (0.60) CYP1A2ALDH1A1LMNATDP1MAPK1
SCHEMBL492505 0.86 CYP1A2 (0.64) CYP1A2ALDH1A1LMNATDP1MAPK1
SCHEMBL5201986 0.86 LMNA (0.49) CYP1A2PDGFRBFGFR1PDGFRAFLT1
SCHEMBL5216573 0.85 PDGFRB (0.57) EGFRCYP1A2PDGFRBFGFR1PDGFRA
SCHEMBL17675673 0.84 MAPT (0.53) CYP1A2PDGFRBFGFR1PDGFRAFLT1
SCHEMBL7226743 0.84 ALDH1A1 (0.50) CYP1A2PDGFRBFGFR1PDGFRAFLT1
SCHEMBL5917471 0.84 CYP1A2 (0.44) CYP1A2PDGFRBFGFR1PDGFRAFLT1

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-2577309-A1 TARGETED PROBES OF CELLULAR PHYSIOLOGY Carnegie Mellon University (US) 2013-04-10 EP disclosed
WO-2011150079-A1 TARGETED PROBES OF CELLULAR PHYSIOLOGY CARNEGIE MELLON UNIVERSITY (US) 2011-12-01 WO disclosed