SCHEMBL8889709

SCHEMBL8889709

COc1cc(OC)nc(C2(C#N)OC(=O)c3c(Cl)ccc(Cl)c32)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
OPRK1 P41145 1/20 0.32
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 1/20 0.32
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
FGFR1 P11362 1/20 0.30
SRC P12931 1/20 0.30

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
SCHEMBL8809088 0.88 HSP90AA1 (0.33) NPC1MAPTHTTRAB9ASMN1; SMN2
SCHEMBL8572771 0.80 EDNRB (0.34) HSP90AA1HSP90AB1NPSR1
SCHEMBL8812629 0.72 HSP90AA1 (0.35) SMN1; SMN2HSP90AA1HSP90AB1NPSR1FGFR1
SCHEMBL8321570 0.72 NPC1 (0.35) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL8810384 0.72 NPSR1 (0.36) MAPTLMNAHSP90AA1HSP90AB1NPSR1
SCHEMBL8810852 0.72 NPSR1 (0.36) SMN1; SMN2LMNAHSP90AA1HSP90AB1NPSR1
SCHEMBL8953395 0.71 NPSR1 (0.33) ALDH1A1NPSR1
SCHEMBL8324489 0.71 KDM4E (0.34) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL996883 0.69 POLM (0.34) NPSR1
SCHEMBL8810119 0.68 NPSR1 (0.35) MAPTLMNAHSP90AA1HSP90AB1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5627138-A HERBICIDES SANDOZ LTD. (CH) 1997-05-06 US disclosed
US-5627137-A HERBICIDES SANDOZ LTD. (CH) 1997-05-06 US disclosed
US-5561101-A HERBICIDES SANDOZ LTD. (CH) 1996-10-01 US disclosed
US-5506192-A HERBICIDES SANDOZ LTD. 1996-04-09 US disclosed
EP-0549524-A1 Substituted phthalides and heterocyclic phthalides and their use in agriculture SANDOZ LTD. (CH) 1993-06-30 EP disclosed