SCHEMBL7969352

SCHEMBL7969352

COc1cc(/C=C2\C(=O)Nc3ccc(I)cc32)cc([N+](=O)[O-])c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.57
MAPT P10636 7/20 0.57
MEN1 O00255 7/20 0.57
POLB P06746 6/20 0.57
RAF1 P04049 3/20 0.57
MAP1LC3B Q9GZQ8 2/20 0.57
PLK4 O00444 2/20 0.57
PLK1 P53350 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
HTT P42858 2/20 0.57
SIRT1 Q96EB6 2/20 0.57
LMNA P02545 2/20 0.57
RECQL P46063 2/20 0.57
EGFR P00533 1/20 0.57
NTRK1 P04629 1/20 0.57
ARAF P10398 1/20 0.57
PIM1 P11309 1/20 0.57
BRAF P15056 1/20 0.57
CSNK2A1 P68400 1/20 0.57
PIM3 Q86V86 1/20 0.57

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
SCHEMBL7969356 1.00 KMT2A (0.57) KMT2AMAPTMEN1POLBRAF1
SCHEMBL1394615 0.88 LRRK2 (0.60) KMT2AMAPTMEN1POLBPLK4
SCHEMBL1394617 0.88 LRRK2 (0.60) KMT2AMAPTMEN1POLBPLK4
SCHEMBL7979342 0.87 DHFR (0.77) KMT2AMAPTMEN1POLBRAF1
SCHEMBL7979340 0.87 DHFR (0.77) KMT2AMAPTMEN1POLBRAF1
SCHEMBL4726411 0.83 RAF1 (0.79) KMT2AMAPTMEN1POLBRAF1
SCHEMBL1394784 0.83 RAF1 (0.79) KMT2AMAPTMEN1POLBRAF1
SCHEMBL5369680 0.80 ERBB2 (0.56) KMT2AMAPTMEN1POLBRAF1
SCHEMBL5369976 0.78 MAPT (0.62) KMT2AMAPTMEN1POLBRAF1
SCHEMBL6690796 0.78 RAF1 (0.76) KMT2AMAPTMEN1POLBRAF1

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