SCHEMBL7979340

SCHEMBL7979340

COc1cc(/C=C2\C(=O)Nc3ccccc32)cc([N+](=O)[O-])c1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.77
MAPT P10636 6/20 0.62
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
GAA P10253 5/20 0.62
ALDH1A1 P00352 4/20 0.62
POLB P06746 4/20 0.62
TDP1 Q9NUW8 1/20 0.62
SIRT1 Q96EB6 1/20 0.59
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
RECQL P46063 1/20 0.55
DUSP3 P51452 1/20 0.55
PTPN5 P54829 1/20 0.55
PTPN11 Q06124 1/20 0.55
KDM4C Q9H3R0 1/20 0.55
APP P05067 2/20 0.55
SNCA P37840 2/20 0.55

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
SCHEMBL7979342 1.00 DHFR (0.77) DHFRMAPTKMT2AMEN1GAA
SCHEMBL1394810 0.89 APP (0.64) DHFRMAPTAPPSNCARAF1
SCHEMBL1394809 0.89 APP (0.64) DHFRMAPTAPPSNCARAF1
SCHEMBL7969356 0.87 KMT2A (0.57) DHFRMAPTKMT2AMEN1GAA
SCHEMBL1394615 0.87 LRRK2 (0.60) DHFRMAPTKMT2AMEN1GAA
SCHEMBL1394617 0.87 LRRK2 (0.60) DHFRMAPTKMT2AMEN1GAA
SCHEMBL7969352 0.87 KMT2A (0.57) DHFRMAPTKMT2AMEN1GAA
SCHEMBL7979219 0.82 DHFR (0.84) DHFRMAPTKMT2AALDH1A1TDP1
SCHEMBL1395377 0.82 DHFR (0.84) DHFRKMT2AMEN1GAARAF1
SCHEMBL5082716 0.82 DHFR (0.84) DHFRMAPTKMT2AALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6268391-B1 Benzylidene-1,3-dihydro-indol-2-one derivatives a receptor tyrosine kinase inhibitors, particularly of Raf kinases GLAXO WELLCOME INC. 2001-07-31 US disclosed